9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile

C45H25N5 — CID 155080619

IUPAC9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-21-44-40(24-29)39-11-3-6-15-43(39)50(44)45-32(28-48)8-7-12-36(45)34-23-30(27-47)22-33(25-34)31-17-19-35(20-18-31)49-41-13-4-1-9-37(41)38-10-2-5-14-42(38)49/h1-25H
InChIKeyHGTVAMOKWIIDBW-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile

9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 155080619) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
PubChem CID155080619
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-21-44-40(24-29)39-11-3-6-15-43(39)50(44)45-32(28-48)8-7-12-36(45)34-23-30(27-47)22-33(25-34)31-17-19-35(20-18-31)49-41-13-4-1-9-37(41)38-10-2-5-14-42(38)49/h1-25H
InChIKeyHGTVAMOKWIIDBW-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-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

9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079503
2-carbazol-9-yl-3-[3-carbazol-9-yl-5-(2-cyanophenyl)phenyl]benzonitrile;2-[2-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[3-(2-carbazol-9-ylphenyl)-5-(3-cyanophenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]-5-phenylphenyl]carbazole-3-carbonitrile
CID 163551344
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081730
9-[3-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile;9-[3-(2-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(3-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 159419725
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081789
2-carbazol-9-yl-3-[4-cyano-3-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,2-dicarbonitrile;3-(2-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)benzonitrile;9-[2-cyano-6-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 165003902
9-[2-cyano-6-(8-cyanodibenzothiophen-2-yl)phenyl]carbazole-3-carbonitrile
CID 122575971

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile (CID 155080619) is 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cccc(C#N)c2-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is HGTVAMOKWIIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-16-21-44-40(24-29)39-11-3-6-15-43(39)50(44)45-32(28-48)8-7-12-36(45)34-23-30(27-47)22-33(25-34)31-17-19-35(20-18-31)49-41-13-4-1-9-37(41)38-10-2-5-14-42(38)49/h1-25H.
What are the key properties of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile?
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155080619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).