3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile

C43H35N3 — CID 134295540

IUPAC3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
SMILESCc1cc(C)cc(-c2c(-n3c4c(C)cccc4c4cccc(C)c43)cc(C#N)cc2-n2c3c(C)cccc3c3cccc(C)c32)c1
InChIInChI=1S/C43H35N3/c1-25-19-26(2)21-32(20-25)39-37(45-40-27(3)11-7-15-33(40)34-16-8-12-28(4)41(34)45)22-31(24-44)23-38(39)46-42-29(5)13-9-17-35(42)36-18-10-14-30(6)43(36)46/h7-23H,1-6H3
InChIKeyHLNUYKBETWQHQN-UHFFFAOYSA-N
MW593.77 g/mol
LogP11.27
Rot. Bonds3

About 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile

3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile (PubChem CID 134295540) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile.

Molecular Properties

Compound Name3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
PubChem CID134295540
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
SMILESCc1cc(C)cc(-c2c(-n3c4c(C)cccc4c4cccc(C)c43)cc(C#N)cc2-n2c3c(C)cccc3c3cccc(C)c32)c1
InChIInChI=1S/C43H35N3/c1-25-19-26(2)21-32(20-25)39-37(45-40-27(3)11-7-15-33(40)34-16-8-12-28(4)41(34)45)22-31(24-44)23-38(39)46-42-29(5)13-9-17-35(42)36-18-10-14-30(6)43(36)46/h7-23H,1-6H3
InChIKeyHLNUYKBETWQHQN-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

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Related Compounds

3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237910
3,5-bis(1,8-dimethylcarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-(1,8-dimethylcarbazol-9-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]-1,8-dimethylcarbazole
CID 162249866
5-[4-cyano-2,6-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538740
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 134300530
3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile
CID 155216625
4-(3,5-dimethylphenyl)-3,5-dimethylbenzonitrile
CID 90908719
4-(3-cyano-5-methylphenyl)-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 159631677
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
4-(3-cyanophenyl)-3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 162083816
4,5-bis(1,8-dimethylcarbazol-9-yl)-2-(2,4-dimethylphenyl)benzonitrile
CID 161289757
3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295670
4-(3-cyano-5-methylphenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 160512308

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
The IUPAC name of 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile (CID 134295540) is 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile.
What is the SMILES notation for 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
The canonical SMILES for 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile is Cc1cc(C)cc(-c2c(-n3c4c(C)cccc4c4cccc(C)c43)cc(C#N)cc2-n2c3c(C)cccc3c3cccc(C)c32)c1.
What is the InChIKey of 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
The InChIKey is HLNUYKBETWQHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-25-19-26(2)21-32(20-25)39-37(45-40-27(3)11-7-15-33(40)34-16-8-12-28(4)41(34)45)22-31(24-44)23-38(39)46-42-29(5)13-9-17-35(42)36-18-10-14-30(6)43(36)46/h7-23H,1-6H3.
What are the key properties of 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile?
3,5-bis(1,8-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 3,5-bis(1,8-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile is sourced from PubChem (CID 134295540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).