9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile

C38H23N3O2 — CID 121443075

IUPAC9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)OCOc1ccc(-n3c4ccccc4c4ccccc43)cc1-2
InChIInChI=1S/C38H23N3O2/c39-22-24-13-17-36-31(19-24)29-9-3-6-12-35(29)41(36)26-14-16-30-32-20-25(15-18-37(32)42-23-43-38(30)21-26)40-33-10-4-1-7-27(33)28-8-2-5-11-34(28)40/h1-21H,23H2
InChIKeyFOJDCWZRRDWTCB-UHFFFAOYSA-N
MW553.62 g/mol
LogP9.15
Rot. Bonds2

About 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile

9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile (PubChem CID 121443075) has the molecular formula C38H23N3O2 and a molecular weight of 553.62 g/mol. Its IUPAC name is 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile
PubChem CID121443075
Molecular FormulaC38H23N3O2
Molecular Weight553.62 g/mol
Exact Mass553.18
IUPAC Name9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)OCOc1ccc(-n3c4ccccc4c4ccccc43)cc1-2
InChIInChI=1S/C38H23N3O2/c39-22-24-13-17-36-31(19-24)29-9-3-6-12-35(29)41(36)26-14-16-30-32-20-25(15-18-37(32)42-23-43-38(30)21-26)40-33-10-4-1-7-27(33)28-8-2-5-11-34(28)40/h1-21H,23H2
InChIKeyFOJDCWZRRDWTCB-UHFFFAOYSA-N
XLogP9.15
TPSA52.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.62
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)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

6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[2-(3,6-dicyanocarbazol-9-yl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]carbazole-3,6-dicarbonitrile
CID 121443217
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-(10-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile
CID 121443232
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
bis(9-(10-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-3-yl)-3-isocyanocarbazole);9-(10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepin-3-yl)-3-isocyanocarbazole;9-[10-(3,5-dipyridin-3-ylphenyl)benzo[d][1,3]benzodioxepin-3-yl]carbazole-3-carbonitrile
CID 159379525
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230

Frequently Asked Questions

What is the IUPAC name of 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile (CID 121443075) is 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)OCOc1ccc(-n3c4ccccc4c4ccccc43)cc1-2.
What is the InChIKey of 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile?
The InChIKey is FOJDCWZRRDWTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O2/c39-22-24-13-17-36-31(19-24)29-9-3-6-12-35(29)41(36)26-14-16-30-32-20-25(15-18-37(32)42-23-43-38(30)21-26)40-33-10-4-1-7-27(33)28-8-2-5-11-34(28)40/h1-21H,23H2.
What are the key properties of 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile?
9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile has a molecular weight of 553.62 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-carbazol-9-ylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 121443075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).