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

C32H20N2S — CID 134343720

IUPAC9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C32H20N2S/c1-20-7-2-3-8-23(20)22-14-16-29-27(18-22)26-17-21(19-33)13-15-28(26)34(29)30-11-6-10-25-24-9-4-5-12-31(24)35-32(25)30/h2-18H,1H3
InChIKeyXJAOCRROYCBVOY-UHFFFAOYSA-N
MW464.59 g/mol
LogP9.00
Rot. Bonds2

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

9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile (PubChem CID 134343720) has the molecular formula C32H20N2S and a molecular weight of 464.59 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
PubChem CID134343720
Molecular FormulaC32H20N2S
Molecular Weight464.59 g/mol
Exact Mass464.13
IUPAC Name9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C32H20N2S/c1-20-7-2-3-8-23(20)22-14-16-29-27(18-22)26-17-21(19-33)13-15-28(26)34(29)30-11-6-10-25-24-9-4-5-12-31(24)35-32(25)30/h2-18H,1H3
InChIKeyXJAOCRROYCBVOY-UHFFFAOYSA-N
XLogP9.00
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 121298270
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 146964838
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
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-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 138599575
6-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-4-carbonitrile
CID 90194308
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
4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 126729166
2-dibenzothiophen-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 148734758
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile?
The IUPAC name of 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile (CID 134343720) is 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile?
The canonical SMILES for 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile is Cc1ccccc1-c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1sc1ccccc12.
What is the InChIKey of 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile?
The InChIKey is XJAOCRROYCBVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S/c1-20-7-2-3-8-23(20)22-14-16-29-27(18-22)26-17-21(19-33)13-15-28(26)34(29)30-11-6-10-25-24-9-4-5-12-31(24)35-32(25)30/h2-18H,1H3.
What are the key properties of 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile?
9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile has a molecular weight of 464.59 g/mol, XLogP of 9.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile is sourced from PubChem (CID 134343720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).