9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile

C45H29N3O — CID 121443091

IUPAC9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CN(c1ccccc1)C2
InChIInChI=1S/C45H29N3O/c46-26-29-14-20-43-40(22-29)36-10-4-6-12-42(36)48(43)35-19-17-33-28-47(34-8-2-1-3-9-34)27-32-16-15-30(23-38(32)39(33)25-35)31-18-21-45-41(24-31)37-11-5-7-13-44(37)49-45/h1-25H,27-28H2
InChIKeyBWILITYCVGWEER-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.41
Rot. Bonds3

About 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile

9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile (PubChem CID 121443091) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile
PubChem CID121443091
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CN(c1ccccc1)C2
InChIInChI=1S/C45H29N3O/c46-26-29-14-20-43-40(22-29)36-10-4-6-12-42(36)48(43)35-19-17-33-28-47(34-8-2-1-3-9-34)27-32-16-15-30(23-38(32)39(33)25-35)31-18-21-45-41(24-31)37-11-5-7-13-44(37)49-45/h1-25H,27-28H2
InChIKeyBWILITYCVGWEER-UHFFFAOYSA-N
XLogP11.41
TPSA45.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-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

9-(3-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-10-yl)carbazole-3-carbonitrile
CID 121443276
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile
CID 121443034
9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)carbazole-3-carbonitrile
CID 121443096
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121442011
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
9-dibenzofuran-2-yl-3-(9,10-dihydrophenanthren-3-yl)carbazole
CID 129200556
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554

Frequently Asked Questions

What is the IUPAC name of 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile (CID 121443091) is 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CN(c1ccccc1)C2.
What is the InChIKey of 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile?
The InChIKey is BWILITYCVGWEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c46-26-29-14-20-43-40(22-29)36-10-4-6-12-42(36)48(43)35-19-17-33-28-47(34-8-2-1-3-9-34)27-32-16-15-30(23-38(32)39(33)25-35)31-18-21-45-41(24-31)37-11-5-7-13-44(37)49-45/h1-25H,27-28H2.
What are the key properties of 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile?
9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile has a molecular weight of 627.75 g/mol, XLogP of 11.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 121443091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).