9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile

C43H24N2S2 — CID 146964838

IUPAC9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1c(-c3ccccc3)cc(-c3ccc4sc5ccccc5c4c3)cc12
InChIInChI=1S/C43H24N2S2/c44-25-26-17-19-38-34(21-26)30-11-4-6-14-37(30)45(38)39-15-8-13-32-36-24-29(23-33(42(36)47-43(32)39)27-9-2-1-3-10-27)28-18-20-41-35(22-28)31-12-5-7-16-40(31)46-41/h1-24H
InChIKeyALHHNGNSJHNJNP-UHFFFAOYSA-N
MW632.81 g/mol
LogP12.73
Rot. Bonds3

About 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile

9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile (PubChem CID 146964838) has the molecular formula C43H24N2S2 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile
PubChem CID146964838
Molecular FormulaC43H24N2S2
Molecular Weight632.81 g/mol
Exact Mass632.14
IUPAC Name9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1c(-c3ccccc3)cc(-c3ccc4sc5ccccc5c4c3)cc12
InChIInChI=1S/C43H24N2S2/c44-25-26-17-19-38-34(21-26)30-11-4-6-14-37(30)45(38)39-15-8-13-32-36-24-29(23-33(42(36)47-43(32)39)27-9-2-1-3-10-27)28-18-20-41-35(22-28)31-12-5-7-16-40(31)46-41/h1-24H
InChIKeyALHHNGNSJHNJNP-UHFFFAOYSA-N
XLogP12.73
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 161330058
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147995432
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360
2-dibenzothiophen-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 148734758
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
9-[3-cyano-5-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 126761669
9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
CID 134343720
6-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-4-carbonitrile
CID 90194308
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-[3-cyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole-3,6-dicarbonitrile
CID 126761763

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile (CID 146964838) is 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1c(-c3ccccc3)cc(-c3ccc4sc5ccccc5c4c3)cc12.
What is the InChIKey of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
The InChIKey is ALHHNGNSJHNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2S2/c44-25-26-17-19-38-34(21-26)30-11-4-6-14-37(30)45(38)39-15-8-13-32-36-24-29(23-33(42(36)47-43(32)39)27-9-2-1-3-10-27)28-18-20-41-35(22-28)31-12-5-7-16-40(31)46-41/h1-24H.
What are the key properties of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile?
9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile has a molecular weight of 632.81 g/mol, XLogP of 12.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 146964838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).