8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile

C44H30N4 — CID 146181909

IUPAC8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)C1=CC=CC(c3ccccc3C3=Cc4c(c5ccccc5n4-c4ccccc4C#N)CC3)C1N2c1ccccc1
InChIInChI=1S/C44H30N4/c45-27-29-21-24-42-39(25-29)38-18-10-17-37(44(38)47(42)32-12-2-1-3-13-32)34-15-6-5-14-33(34)30-22-23-36-35-16-7-9-20-41(35)48(43(36)26-30)40-19-8-4-11-31(40)28-46/h1-21,24-26,37,44H,22-23H2
InChIKeyQUSRQNHNVVEDGO-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.12
Rot. Bonds4

About 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile

8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile (PubChem CID 146181909) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile
PubChem CID146181909
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)C1=CC=CC(c3ccccc3C3=Cc4c(c5ccccc5n4-c4ccccc4C#N)CC3)C1N2c1ccccc1
InChIInChI=1S/C44H30N4/c45-27-29-21-24-42-39(25-29)38-18-10-17-37(44(38)47(42)32-12-2-1-3-13-32)34-15-6-5-14-33(34)30-22-23-36-35-16-7-9-20-41(35)48(43(36)26-30)40-19-8-4-11-31(40)28-46/h1-21,24-26,37,44H,22-23H2
InChIKeyQUSRQNHNVVEDGO-UHFFFAOYSA-N
XLogP10.12
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile 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-[3-[9-(4-cyanophenyl)-6-methyl-1,9a-dihydrocarbazol-1-yl]phenyl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 146185754
9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile
CID 147061699
3-methyl-4-[6-methyl-4-[2-(9-phenyl-1,9a-dihydrocarbazol-1-yl)phenyl]-1,2-dihydrocarbazol-9-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 146182100
9-[2-[3-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 167281071
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 167280385
9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile
CID 163835714
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080582
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
7'-[9-phenyl-5-(9-phenylcarbazol-4-yl)-4b,8a-dihydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 146339477
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974

Frequently Asked Questions

What is the IUPAC name of 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile?
The IUPAC name of 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile (CID 146181909) is 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile.
What is the SMILES notation for 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile?
The canonical SMILES for 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile is N#Cc1ccc2c(c1)C1=CC=CC(c3ccccc3C3=Cc4c(c5ccccc5n4-c4ccccc4C#N)CC3)C1N2c1ccccc1.
What is the InChIKey of 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile?
The InChIKey is QUSRQNHNVVEDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c45-27-29-21-24-42-39(25-29)38-18-10-17-37(44(38)47(42)32-12-2-1-3-13-32)34-15-6-5-14-33(34)30-22-23-36-35-16-7-9-20-41(35)48(43(36)26-30)40-19-8-4-11-31(40)28-46/h1-21,24-26,37,44H,22-23H2.
What are the key properties of 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile?
8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile has a molecular weight of 614.75 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[9-(2-cyanophenyl)-3,4-dihydrocarbazol-2-yl]phenyl]-9-phenyl-8,8a-dihydrocarbazole-3-carbonitrile is sourced from PubChem (CID 146181909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).