4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile

C66H38N8 — CID 134302144

IUPAC4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)cc(C)n1
InChIInChI=1S/C66H38N8/c1-40-27-50(28-41(2)72-40)60-34-66(74-63-31-44(54-17-9-5-13-48(54)37-69)21-25-58(63)59-26-22-45(32-64(59)74)55-18-10-6-14-49(55)38-70)65(33-51(60)39-71)73-61-29-42(52-15-7-3-11-46(52)35-67)19-23-56(61)57-24-20-43(30-62(57)73)53-16-8-4-12-47(53)36-68/h3-34H,1-2H3
InChIKeyCXCDNVDKSHJONN-UHFFFAOYSA-N
MW943.09 g/mol
LogP15.59
Rot. Bonds7

About 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile

4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile (PubChem CID 134302144) has the molecular formula C66H38N8 and a molecular weight of 943.09 g/mol. Its IUPAC name is 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
PubChem CID134302144
Molecular FormulaC66H38N8
Molecular Weight943.09 g/mol
Exact Mass942.32
IUPAC Name4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)cc(C)n1
InChIInChI=1S/C66H38N8/c1-40-27-50(28-41(2)72-40)60-34-66(74-63-31-44(54-17-9-5-13-48(54)37-69)21-25-58(63)59-26-22-45(32-64(59)74)55-18-10-6-14-49(55)38-70)65(33-51(60)39-71)73-61-29-42(52-15-7-3-11-46(52)35-67)19-23-56(61)57-24-20-43(30-62(57)73)53-16-8-4-12-47(53)36-68/h3-34H,1-2H3
InChIKeyCXCDNVDKSHJONN-UHFFFAOYSA-N
XLogP15.59
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.09
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 134292728
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-dimethylpyrimidin-4-yl)benzonitrile
CID 139419778
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292984
5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302143
5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512991
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134296333
2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137420905
2-[4-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 147847714
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414204
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The IUPAC name of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile (CID 134302144) is 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile is Cc1cc(-c2cc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)cc(C)n1.
What is the InChIKey of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The InChIKey is CXCDNVDKSHJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N8/c1-40-27-50(28-41(2)72-40)60-34-66(74-63-31-44(54-17-9-5-13-48(54)37-69)21-25-58(63)59-26-22-45(32-64(59)74)55-18-10-6-14-49(55)38-70)65(33-51(60)39-71)73-61-29-42(52-15-7-3-11-46(52)35-67)19-23-56(61)57-24-20-43(30-62(57)73)53-16-8-4-12-47(53)36-68/h3-34H,1-2H3.
What are the key properties of 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile?
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile has a molecular weight of 943.09 g/mol, XLogP of 15.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134302144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).