2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile

C32H22N2S — CID 163708431

IUPAC2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccccc2-c2cc3c(cc2C#N)sc2ccccc23)C1
InChIInChI=1S/C32H22N2S/c1-20-14-15-30-26(16-20)23-9-3-6-12-29(23)34(30)28-11-5-2-8-22(28)25-18-27-24-10-4-7-13-31(24)35-32(27)17-21(25)19-33/h2-15,17-18,20H,16H2,1H3
InChIKeyKHCJBLKENOKVSC-UHFFFAOYSA-N
MW466.61 g/mol
LogP8.74
Rot. Bonds2

About 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile

2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile (PubChem CID 163708431) has the molecular formula C32H22N2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile
PubChem CID163708431
Molecular FormulaC32H22N2S
Molecular Weight466.61 g/mol
Exact Mass466.15
IUPAC Name2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccccc2-c2cc3c(cc2C#N)sc2ccccc23)C1
InChIInChI=1S/C32H22N2S/c1-20-14-15-30-26(16-20)23-9-3-6-12-29(23)34(30)28-11-5-2-8-22(28)25-18-27-24-10-4-7-13-31(24)35-32(27)17-21(25)19-33/h2-15,17-18,20H,16H2,1H3
InChIKeyKHCJBLKENOKVSC-UHFFFAOYSA-N
XLogP8.74
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 163872016
5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 160666217
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
9-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methyl-3,4-dihydrocarbazole
CID 166917192
(3Z,5E)-4-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)octa-3,5-dien-7-ynenitrile
CID 155299378
8-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 126596466
9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole
CID 167285063
9-[2-[2-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 140822705
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
2,3-bis([1]benzothiolo[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 166572494
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile?
The IUPAC name of 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile (CID 163708431) is 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile.
What is the SMILES notation for 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile?
The canonical SMILES for 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile is CC1C=Cc2c(c3ccccc3n2-c2ccccc2-c2cc3c(cc2C#N)sc2ccccc23)C1.
What is the InChIKey of 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile?
The InChIKey is KHCJBLKENOKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2S/c1-20-14-15-30-26(16-20)23-9-3-6-12-29(23)34(30)28-11-5-2-8-22(28)25-18-27-24-10-4-7-13-31(24)35-32(27)17-21(25)19-33/h2-15,17-18,20H,16H2,1H3.
What are the key properties of 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile?
2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile has a molecular weight of 466.61 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile is sourced from PubChem (CID 163708431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).