22,40,50-Trimethyl-45-(4-methylphenyl)-11,22,40,45,50-pentazaheptadecacyclo[31.18.1.124,28.03,32.04,9.05,30.06,27.07,16.08,13.017,26.020,25.029,38.031,36.034,46.035,44.037,42.048,52]tripentaconta-1,3(32),4(9),5(30),6,8(13),14,16,18,20(25),24(53),26,28,31(36),33(52),34(46),35(44),37,42,47-icosaene-10,12,21,23,41,49-hexone

分子结构分类

有机化合物 - 苯类化合物 - 芘

中文名称

——

中文别名

——

英文名称

22,40,50-Trimethyl-45-(4-methylphenyl)-11,22,40,45,50-pentazaheptadecacyclo[31.18.1.124,28.03,32.04,9.05,30.06,27.07,16.08,13.017,26.020,25.029,38.031,36.034,46.035,44.037,42.048,52]tripentaconta-1,3(32),4(9),5(30),6,8(13),14,16,18,20(25),24(53),26,28,31(36),33(52),34(46),35(44),37,42,47-icosaene-10,12,21,23,41,49-hexone

英文别名

22,40,50-trimethyl-45-(4-methylphenyl)-11,22,40,45,50-pentazaheptadecacyclo[31.18.1.124,28.03,32.04,9.05,30.06,27.07,16.08,13.017,26.020,25.029,38.031,36.034,46.035,44.037,42.048,52]tripentaconta-1,3(32),4(9),5(30),6,8(13),14,16,18,20(25),24(53),26,28,31(36),33(52),34(46),35(44),37,42,47-icosaene-10,12,21,23,41,49-hexone

CAS

——

化学式

C₅₈H₂₉N₅O₆

mdl

——

分子量

891.9

InChiKey

DRROPEMZMCJXIE-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

9.9
重原子数：

69
可旋转键数：

1
环数：

18.0
sp3杂化的碳原子比例：

0.1
拓扑面积：

129
氢给体数：

1
氢受体数：

6

同类化合物

顺式-1,2-二(1-芘基)环丁烷顺式-1,2-二(1-芘基)环丁烷顺式-(-)-苯并(a)芘-7,8-二醇-9,10-环氧化物雄甾烷还原黑29 还原黄4 还原金橙G 还原绿2 还原绿1 还原紫3B 还原紫 10 还原深蓝BO 还原橙4 还原橙2 还原兰黑BBN 还原亮橙IRK 试剂N1,N1,N3,N3,N6,N6,N8,N8-Octakis(4-methoxyphenyl)-1,3,6,8-pyrenetetramine 蒽酮紫79 蒽缔蒽酮蒽并(1,2,3,4-ghi)苝蒽嵌蒽蒽[9,1,2-cde]苯并[rst]戊芬萘并[2'.8',2.4]晕苯萘并[2',1',8',7':4,10,5]蒽并[1,9,8-abcd]晕苯萘并[1,8-gh:4,5-g'h']二喹啉萘并(8,1,2-bcd)苝萘并(2,3-a)晕苯萘并(2,1,8-qra)萘并萘-7 12-二酮萘并(1,2,3-mno)醋菲烯萘[2,3-a]芘菲并[1,10,9,8-opqra]苝茚并(1,2,3-cd)芘苯胺,2-氯-3-(苯基甲氧基)- 苯并[xyz]庚芬苯并[wx]萘并[2,1,8,7-hijk]庚省苯并[rst]菲并[1,10,9-cde]戊芬苯并[rst]戊酚-5-甲醛苯并[pqr]四苯-5-基甲酸根苯并[pqr]四苯-11-基甲酸根苯并[pqr]二萘并[8,1,2-bcd:2',1',8'-lmn]苝苯并[p]萘并[1,8,7-ghi]屈苯并[l]芘-8-醇苯并[ghi]苝苯并[e]芘苯并[b]芘-6-基甲醇苯并[b]芘-6,12-二酮苯并[b]芘-3,6-二酮苯并[b]芘-1,6-二酮苯并[a]芘-9,10-环氧化物苯并[a]芘-7-醇

分子结构分类

计算性质

同类化合物

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