2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile

C43H35N3 — CID 134295538

IUPAC2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
SMILESCc1cc(C)cc(-c2cc(-n3c4cc(C)ccc4c4ccc(C)cc43)c(C#N)cc2-n2c3cc(C)ccc3c3ccc(C)cc32)c1
InChIInChI=1S/C43H35N3/c1-25-7-11-33-34-12-8-26(2)19-40(34)45(39(33)18-25)38-23-37(31-16-29(5)15-30(6)17-31)43(22-32(38)24-44)46-41-20-27(3)9-13-35(41)36-14-10-28(4)21-42(36)46/h7-23H,1-6H3
InChIKeyVJPWRMLHHYJHOS-UHFFFAOYSA-N
MW593.77 g/mol
LogP11.27
Rot. Bonds3

About 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile

2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile (PubChem CID 134295538) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile.

Molecular Properties

Compound Name2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
PubChem CID134295538
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
SMILESCc1cc(C)cc(-c2cc(-n3c4cc(C)ccc4c4ccc(C)cc43)c(C#N)cc2-n2c3cc(C)ccc3c3ccc(C)cc32)c1
InChIInChI=1S/C43H35N3/c1-25-7-11-33-34-12-8-26(2)19-40(34)45(39(33)18-25)38-23-37(31-16-29(5)15-30(6)17-31)43(22-32(38)24-44)46-41-20-27(3)9-13-35(41)36-14-10-28(4)21-42(36)46/h7-23H,1-6H3
InChIKeyVJPWRMLHHYJHOS-UHFFFAOYSA-N
XLogP11.27
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-bis(2-methylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295588
2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134292609
4-(3-cyano-5-methylphenyl)-2,5-bis(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 162123792
2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 134292728
2-(2,6-ditert-butylcarbazol-9-yl)-5-(2,7-ditert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295590
2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729193
2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134296340
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 153303102
4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134296333
2,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(3-isocyano-5-methylphenyl)benzonitrile
CID 157071593
4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 155427496

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
The IUPAC name of 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile (CID 134295538) is 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile.
What is the SMILES notation for 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
The canonical SMILES for 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile is Cc1cc(C)cc(-c2cc(-n3c4cc(C)ccc4c4ccc(C)cc43)c(C#N)cc2-n2c3cc(C)ccc3c3ccc(C)cc32)c1.
What is the InChIKey of 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
The InChIKey is VJPWRMLHHYJHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-25-7-11-33-34-12-8-26(2)19-40(34)45(39(33)18-25)38-23-37(31-16-29(5)15-30(6)17-31)43(22-32(38)24-44)46-41-20-27(3)9-13-35(41)36-14-10-28(4)21-42(36)46/h7-23H,1-6H3.
What are the key properties of 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile has a molecular weight of 593.77 g/mol, XLogP of 11.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile is sourced from PubChem (CID 134295538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).