11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

C170H113N11 — CID 165079396

About 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (PubChem CID 165079396) has the molecular formula C170H113N11 and a molecular weight of 2309.85 g/mol. Its IUPAC name is 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 165079396
• Molecular Formula: C170H113N11
• Molecular Weight: 2309.85 g/mol
• Exact Mass: 2307.92
• IUPAC Name: 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
• SMILES: Cc1c(-c2cc(-c3ccc4c(c3)CC4)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cccc1-c1ccc2c(c1)CC2.Cc1c(-c2ccccc2)cccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6C#N)ccc54)c3)c2C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)CC5)ccc32)c1
• InChI: InChI=1S/C102H66N6.C68H47N5/c1-63-82(68-21-7-4-8-22-68)27-17-28-83(63)76-51-77(56-81(55-76)107-97-33-15-11-25-88(97)92-58-71(41-47-101(92)107)70-39-45-99-90(57-70)86-23-9-13-31-95(86)105(99)79-43-38-67-36-37-69(67)52-79)85-30-18-29-84(64(85)2)75-50-74(66-19-5-3-6-20-66)53-80(54-75)106-96-32-14-10-24-87(96)91-59-72(40-46-100(91)106)73-42-48-102-93(60-73)89-26-12-16-34-98(89)108(102)94-44-35-65(61-103)49-78(94)62-104;1-42-54(50-34-30-44-28-32-48(44)36-50)22-14-23-55(42)52-37-51(49-33-29-43-27-31-47(43)35-49)38-53(39-52)72-61-24-11-8-19-56(61)59-41-65-60(40-64(59)72)57-20-9-12-25-62(57)73(65)63-26-13-10-21-58(63)68-70-66(45-15-4-2-5-16-45)69-67(71-68)46-17-6-3-7-18-46/h3-35,38-60H,36-37H2,1-2H3;2-26,29-30,33-41H,27-28,31-32H2,1H3
• InChIKey: UWCUVGIYCGSQMK-UHFFFAOYSA-N
• XLogP: 42.78
• TPSA: 115.83 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2309.85
LogP ≤ 5	42.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (CID 165079396) is 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is Cc1c(-c2cc(-c3ccc4c(c3)CC4)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cccc1-c1ccc2c(c1)CC2.Cc1c(-c2ccccc2)cccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6C#N)ccc54)c3)c2C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)CC5)ccc32)c1.

What is the InChIKey of 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?

The InChIKey is UWCUVGIYCGSQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H66N6.C68H47N5/c1-63-82(68-21-7-4-8-22-68)27-17-28-83(63)76-51-77(56-81(55-76)107-97-33-15-11-25-88(97)92-58-71(41-47-101(92)107)70-39-45-99-90(57-70)86-23-9-13-31-95(86)105(99)79-43-38-67-36-37-69(67)52-79)85-30-18-29-84(64(85)2)75-50-74(66-19-5-3-6-20-66)53-80(54-75)106-96-32-14-10-24-87(96)91-59-72(40-46-100(91)106)73-42-48-102-93(60-73)89-26-12-16-34-98(89)108(102)94-44-35-65(61-103)49-78(94)62-104;1-42-54(50-34-30-44-28-32-48(44)36-50)22-14-23-55(42)52-37-51(49-33-29-43-27-31-47(43)35-49)38-53(39-52)72-61-24-11-8-19-56(61)59-41-65-60(40-64(59)72)57-20-9-12-25-62(57)73(65)63-26-13-10-21-58(63)68-70-66(45-15-4-2-5-16-45)69-67(71-68)46-17-6-3-7-18-46/h3-35,38-60H,36-37H2,1-2H3;2-26,29-30,33-41H,27-28,31-32H2,1H3.

What are the key properties of 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?

11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile has a molecular weight of 2309.85 g/mol, XLogP of 42.78, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 165079396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).