9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile

C45H30N4 — CID 167280434

IUPAC9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile
SMILESCc1cc(-c2ccccc2-n2c3c(c4cc(C#N)ccc42)CCC=C3C#N)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H30N4/c1-29-25-32(20-23-35(29)31-18-21-34(22-19-31)48-42-15-6-3-11-37(42)38-12-4-7-16-43(38)48)36-10-2-5-14-41(36)49-44-24-17-30(27-46)26-40(44)39-13-8-9-33(28-47)45(39)49/h2-7,9-12,14-26H,8,13H2,1H3
InChIKeyMFKPUUUBHHMBEF-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.09
Rot. Bonds4

About 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile

9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile (PubChem CID 167280434) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile
PubChem CID167280434
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile
SMILESCc1cc(-c2ccccc2-n2c3c(c4cc(C#N)ccc42)CCC=C3C#N)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C45H30N4/c1-29-25-32(20-23-35(29)31-18-21-34(22-19-31)48-42-15-6-3-11-37(42)38-12-4-7-16-43(38)48)36-10-2-5-14-41(36)49-44-24-17-30(27-46)26-40(44)39-13-8-9-33(28-47)45(39)49/h2-7,9-12,14-26H,8,13H2,1H3
InChIKeyMFKPUUUBHHMBEF-UHFFFAOYSA-N
XLogP11.09
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile 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

9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[2-[5-(3-carbazol-9-ylphenyl)-3-methylcyclohexa-1,5-dien-1-yl]-5-cyanophenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile
CID 167280172
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[2-[5-cyano-2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081532
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile?
The IUPAC name of 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile (CID 167280434) is 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile is Cc1cc(-c2ccccc2-n2c3c(c4cc(C#N)ccc42)CCC=C3C#N)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile?
The InChIKey is MFKPUUUBHHMBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-29-25-32(20-23-35(29)31-18-21-34(22-19-31)48-42-15-6-3-11-37(42)38-12-4-7-16-43(38)48)36-10-2-5-14-41(36)49-44-24-17-30(27-46)26-40(44)39-13-8-9-33(28-47)45(39)49/h2-7,9-12,14-26H,8,13H2,1H3.
What are the key properties of 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile?
9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile has a molecular weight of 626.76 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]phenyl]-3,4-dihydrocarbazole-1,6-dicarbonitrile is sourced from PubChem (CID 167280434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).