2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile

C40H30N4 — CID 134292728

IUPAC2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4cc(C)nc(C)c4)cc3-n3c4ccccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/C40H30N4/c1-24-13-15-32-30-9-5-7-11-35(30)43(37(32)17-24)39-21-29(23-41)34(28-19-26(3)42-27(4)20-28)22-40(39)44-36-12-8-6-10-31(36)33-16-14-25(2)18-38(33)44/h5-22H,1-4H3
InChIKeyVXMAAHKAICWXFL-UHFFFAOYSA-N
MW566.71 g/mol
LogP10.05
Rot. Bonds3

About 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile

2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile (PubChem CID 134292728) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
PubChem CID134292728
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4cc(C)nc(C)c4)cc3-n3c4ccccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/C40H30N4/c1-24-13-15-32-30-9-5-7-11-35(30)43(37(32)17-24)39-21-29(23-41)34(28-19-26(3)42-27(4)20-28)22-40(39)44-36-12-8-6-10-31(36)33-16-14-25(2)18-38(33)44/h5-22H,1-4H3
InChIKeyVXMAAHKAICWXFL-UHFFFAOYSA-N
XLogP10.05
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302144
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
CID 146699426
4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134296333
2-(4-cyano-2-fluorophenyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 153303201
2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
CID 134295538
2,5-bis(2-methylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295588
4,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,6-dimethylpyrimidin-4-yl)benzonitrile
CID 139420026
2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-3-[(1Z)-3-(3-methylphenyl)buta-1,3-dienyl]indol-1-yl]-4-[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 134301966
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
4,5-bis(2,7-dimethylcarbazol-9-yl)-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162610904
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
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 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile (CID 134292728) is 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile is Cc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4cc(C)nc(C)c4)cc3-n3c4ccccc4c4ccc(C)cc43)c2c1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile?
The InChIKey is VXMAAHKAICWXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-24-13-15-32-30-9-5-7-11-35(30)43(37(32)17-24)39-21-29(23-41)34(28-19-26(3)42-27(4)20-28)22-40(39)44-36-12-8-6-10-31(36)33-16-14-25(2)18-38(33)44/h5-22H,1-4H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile?
2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile has a molecular weight of 566.71 g/mol, XLogP of 10.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 134292728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).