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

C39H24N2OS — CID 121443034

IUPAC9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CSC2
InChIInChI=1S/C39H24N2OS/c40-21-24-9-15-37-34(17-24)30-5-1-3-7-36(30)41(37)29-14-12-28-23-43-22-27-11-10-25(18-32(27)33(28)20-29)26-13-16-39-35(19-26)31-6-2-4-8-38(31)42-39/h1-20H,22-23H2
InChIKeyFPJCTOCQLBAIIS-UHFFFAOYSA-N
MW568.70 g/mol
LogP10.64
Rot. Bonds2

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

9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile (PubChem CID 121443034) has the molecular formula C39H24N2OS and a molecular weight of 568.70 g/mol. Its IUPAC name is 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile
PubChem CID121443034
Molecular FormulaC39H24N2OS
Molecular Weight568.70 g/mol
Exact Mass568.16
IUPAC Name9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CSC2
InChIInChI=1S/C39H24N2OS/c40-21-24-9-15-37-34(17-24)30-5-1-3-7-36(30)41(37)29-14-12-28-23-43-22-27-11-10-25(18-32(27)33(28)20-29)26-13-16-39-35(19-26)31-6-2-4-8-38(31)42-39/h1-20H,22-23H2
InChIKeyFPJCTOCQLBAIIS-UHFFFAOYSA-N
XLogP10.64
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.70
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile
CID 121443091
9-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]carbazole-3-carbonitrile
CID 121443107
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole
CID 121441427
9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)carbazole-3-carbonitrile
CID 121443096
9-(3-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-10-yl)carbazole-3-carbonitrile
CID 121443276
9-[3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole-3-carbonitrile
CID 121443179
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
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-[10-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]carbazole-3-carbonitrile
CID 121441442

Frequently Asked Questions

What is the IUPAC name of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile (CID 121443034) is 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CSC2.
What is the InChIKey of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile?
The InChIKey is FPJCTOCQLBAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2OS/c40-21-24-9-15-37-34(17-24)30-5-1-3-7-36(30)41(37)29-14-12-28-23-43-22-27-11-10-25(18-32(27)33(28)20-29)26-13-16-39-35(19-26)31-6-2-4-8-38(31)42-39/h1-20H,22-23H2.
What are the key properties of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile?
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile has a molecular weight of 568.70 g/mol, XLogP of 10.64, 2 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-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 121443034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).