5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile

C80H58N8 — CID 134302186

IUPAC5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccncc2)c(-n2c3ccc(C)cc3c3cc(Cc4cc5c6ccc(C)cc6n(-c6cc(-c7ccncc7)c(-n7c8cc(C)ccc8c8ccc(C)cc87)cc6C#N)c5cc4C)ccc32)cc1C#N
InChIInChI=1S/C80H58N8/c1-46-11-18-69-64(30-46)65-31-47(2)12-19-70(65)85(69)73-42-62(54-22-26-83-27-23-54)79(40-57(73)44-81)86-71-20-13-48(3)32-66(71)67-38-53(14-21-72(67)86)37-56-39-68-61-17-10-51(6)35-77(61)87(78(68)36-52(56)7)74-43-63(55-24-28-84-29-25-55)80(41-58(74)45-82)88-75-33-49(4)8-15-59(75)60-16-9-50(5)34-76(60)88/h8-36,38-43H,37H2,1-7H3
InChIKeyZTEUMHRHAOBTTQ-UHFFFAOYSA-N
MW1131.40 g/mol
LogP19.69
Rot. Bonds8

About 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile

5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile (PubChem CID 134302186) has the molecular formula C80H58N8 and a molecular weight of 1131.40 g/mol. Its IUPAC name is 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
PubChem CID134302186
Molecular FormulaC80H58N8
Molecular Weight1131.40 g/mol
Exact Mass1130.48
IUPAC Name5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccncc2)c(-n2c3ccc(C)cc3c3cc(Cc4cc5c6ccc(C)cc6n(-c6cc(-c7ccncc7)c(-n7c8cc(C)ccc8c8ccc(C)cc87)cc6C#N)c5cc4C)ccc32)cc1C#N
InChIInChI=1S/C80H58N8/c1-46-11-18-69-64(30-46)65-31-47(2)12-19-70(65)85(69)73-42-62(54-22-26-83-27-23-54)79(40-57(73)44-81)86-71-20-13-48(3)32-66(71)67-38-53(14-21-72(67)86)37-56-39-68-61-17-10-51(6)35-77(61)87(78(68)36-52(56)7)74-43-63(55-24-28-84-29-25-55)80(41-58(74)45-82)88-75-33-49(4)8-15-59(75)60-16-9-50(5)34-76(60)88/h8-36,38-43H,37H2,1-7H3
InChIKeyZTEUMHRHAOBTTQ-UHFFFAOYSA-N
XLogP19.69
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.40
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile with MolForge

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Related Compounds

2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134292609
2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
CID 134295538
2,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292650
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
2-[3-[[2-tert-butyl-9-[4-[2-[5-[9-[4-(3-tert-butylcarbazol-9-yl)-5-cyano-2-(3-cyanophenyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]carbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-4-(3-cyanophenyl)-5-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 146237895
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134296295
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
CID 138565580
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile (CID 134302186) is 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccncc2)c(-n2c3ccc(C)cc3c3cc(Cc4cc5c6ccc(C)cc6n(-c6cc(-c7ccncc7)c(-n7c8cc(C)ccc8c8ccc(C)cc87)cc6C#N)c5cc4C)ccc32)cc1C#N.
What is the InChIKey of 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
The InChIKey is ZTEUMHRHAOBTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N8/c1-46-11-18-69-64(30-46)65-31-47(2)12-19-70(65)85(69)73-42-62(54-22-26-83-27-23-54)79(40-57(73)44-81)86-71-20-13-48(3)32-66(71)67-38-53(14-21-72(67)86)37-56-39-68-61-17-10-51(6)35-77(61)87(78(68)36-52(56)7)74-43-63(55-24-28-84-29-25-55)80(41-58(74)45-82)88-75-33-49(4)8-15-59(75)60-16-9-50(5)34-76(60)88/h8-36,38-43H,37H2,1-7H3.
What are the key properties of 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile?
5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile has a molecular weight of 1131.40 g/mol, XLogP of 19.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[9-[2-cyano-4-(2,7-dimethylcarbazol-9-yl)-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-2-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134302186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).