2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile

C75H67N7 — CID 146631255

IUPAC2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile
SMILESCc1cccc2c3cccc(C)c3n(-c3c(C#N)c(-n4c5c(C)cccc5c5cccc(C)c54)c(-n4c5ccccc5c5cccnc54)c(-c4cc(CC(C)C)c(CC(C)C)cc4CC(C)C)c3-n3c4ccccc4c4cccnc43)c12
InChIInChI=1S/C75H67N7/c1-43(2)37-50-40-52(39-45(5)6)61(41-51(50)38-44(3)4)65-72(79-63-33-13-11-25-53(63)59-31-19-35-77-74(59)79)70(81-66-46(7)21-15-27-55(66)56-28-16-22-47(8)67(56)81)62(42-76)71(73(65)80-64-34-14-12-26-54(64)60-32-20-36-78-75(60)80)82-68-48(9)23-17-29-57(68)58-30-18-24-49(10)69(58)82/h11-36,40-41,43-45H,37-39H2,1-10H3
InChIKeyQLHWCIWXUKLTNS-UHFFFAOYSA-N
MW1066.41 g/mol
LogP19.23
Rot. Bonds11

About 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile

2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile (PubChem CID 146631255) has the molecular formula C75H67N7 and a molecular weight of 1066.41 g/mol. Its IUPAC name is 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile
PubChem CID146631255
Molecular FormulaC75H67N7
Molecular Weight1066.41 g/mol
Exact Mass1065.55
IUPAC Name2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile
SMILESCc1cccc2c3cccc(C)c3n(-c3c(C#N)c(-n4c5c(C)cccc5c5cccc(C)c54)c(-n4c5ccccc5c5cccnc54)c(-c4cc(CC(C)C)c(CC(C)C)cc4CC(C)C)c3-n3c4ccccc4c4cccnc43)c12
InChIInChI=1S/C75H67N7/c1-43(2)37-50-40-52(39-45(5)6)61(41-51(50)38-44(3)4)65-72(79-63-33-13-11-25-53(63)59-31-19-35-77-74(59)79)70(81-66-46(7)21-15-27-55(66)56-28-16-22-47(8)67(56)81)62(42-76)71(73(65)80-64-34-14-12-26-54(64)60-32-20-36-78-75(60)80)82-68-48(9)23-17-29-57(68)58-30-18-24-49(10)69(58)82/h11-36,40-41,43-45H,37-39H2,1-10H3
InChIKeyQLHWCIWXUKLTNS-UHFFFAOYSA-N
XLogP19.23
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.41
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile with MolForge

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Related Compounds

4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile
CID 139368554
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523680
2,4,5,6-tetrakis(1,8-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 122552306
2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
CID 146630889
4-([1]benzothiolo[2,3-c]pyridin-7-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile
CID 139368589
4-([1]benzofuro[3,2-b]pyridin-6-yl)-2,3,5,6-tetrakis(4-methylcarbazol-9-yl)benzonitrile
CID 139368531
4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(2-methylcarbazol-9-yl)benzonitrile
CID 139368533
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
4,5,6-tris(1,3,6,8-tetramethylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene-3-carbonitrile
CID 177101695
2,3,4,6-tetrakis(3,6-dimethylcarbazol-9-yl)-5-pyridin-2-ylbenzonitrile
CID 156678705
2,6-bis(3-methylcarbazol-9-yl)-4-(3-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139507231
4-([1]benzothiolo[3,2-b]pyridin-7-yl)-2,3,5,6-tetrakis(2-methylcarbazol-9-yl)benzonitrile
CID 139368613

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile (CID 146631255) is 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile is Cc1cccc2c3cccc(C)c3n(-c3c(C#N)c(-n4c5c(C)cccc5c5cccc(C)c54)c(-n4c5ccccc5c5cccnc54)c(-c4cc(CC(C)C)c(CC(C)C)cc4CC(C)C)c3-n3c4ccccc4c4cccnc43)c12.
What is the InChIKey of 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile?
The InChIKey is QLHWCIWXUKLTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H67N7/c1-43(2)37-50-40-52(39-45(5)6)61(41-51(50)38-44(3)4)65-72(79-63-33-13-11-25-53(63)59-31-19-35-77-74(59)79)70(81-66-46(7)21-15-27-55(66)56-28-16-22-47(8)67(56)81)62(42-76)71(73(65)80-64-34-14-12-26-54(64)60-32-20-36-78-75(60)80)82-68-48(9)23-17-29-57(68)58-30-18-24-49(10)69(58)82/h11-36,40-41,43-45H,37-39H2,1-10H3.
What are the key properties of 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile?
2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile has a molecular weight of 1066.41 g/mol, XLogP of 19.23, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile is sourced from PubChem (CID 146631255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).