3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile

C43H25N3O — CID 126582401

IUPAC3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2oc2c3ccc3c4ccccc4n(-c4ccccc4)c32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H25N3O/c44-26-27-21-22-32(40(25-27)46-38-19-8-4-13-29(38)30-14-5-9-20-39(30)46)34-16-10-17-35-36-24-23-33-31-15-6-7-18-37(31)45(28-11-2-1-3-12-28)41(33)43(36)47-42(34)35/h1-25H
InChIKeyQPWIVXQUYYANHN-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.32
Rot. Bonds3

About 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile

3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile (PubChem CID 126582401) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile
PubChem CID126582401
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2oc2c3ccc3c4ccccc4n(-c4ccccc4)c32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H25N3O/c44-26-27-21-22-32(40(25-27)46-38-19-8-4-13-29(38)30-14-5-9-20-39(30)46)34-16-10-17-35-36-24-23-33-31-15-6-7-18-37(31)45(28-11-2-1-3-12-28)41(33)43(36)47-42(34)35/h1-25H
InChIKeyQPWIVXQUYYANHN-UHFFFAOYSA-N
XLogP11.32
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)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

3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
4-(2-carbazol-9-ylphenyl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]furo[2,3-a]carbazol-10-yl]benzonitrile
CID 129300009
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
10-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole;9-[2-cyano-6-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)phenyl]carbazole-3-carbonitrile;9-[4-isocyano-2-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)phenyl]carbazole-3-carbonitrile;9-[5-isocyano-2-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)phenyl]carbazole-3-carbonitrile
CID 159593044
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile
CID 134604282
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
2-carbazol-9-yl-6-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,4-dicarbonitrile
CID 121328622
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile (CID 126582401) is 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile is N#Cc1ccc(-c2cccc3c2oc2c3ccc3c4ccccc4n(-c4ccccc4)c32)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile?
The InChIKey is QPWIVXQUYYANHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c44-26-27-21-22-32(40(25-27)46-38-19-8-4-13-29(38)30-14-5-9-20-39(30)46)34-16-10-17-35-36-24-23-33-31-15-6-7-18-37(31)45(28-11-2-1-3-12-28)41(33)43(36)47-42(34)35/h1-25H.
What are the key properties of 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile?
3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile has a molecular weight of 599.69 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-10-yl)benzonitrile is sourced from PubChem (CID 126582401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).