2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile

C44H29N3S — CID 146351134

IUPAC2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile
SMILESN#Cc1cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H29N3S/c45-30-32-29-36(48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35)27-28-37(32)38-23-14-26-44(41(38)31-46)47-42-24-12-10-21-39(42)40-22-11-13-25-43(40)47/h1-29H
InChIKeyDFOVIBGFRCMNAY-UHFFFAOYSA-N
MW631.80 g/mol
LogP11.53
Rot. Bonds6

About 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile

2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile (PubChem CID 146351134) has the molecular formula C44H29N3S and a molecular weight of 631.80 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile
PubChem CID146351134
Molecular FormulaC44H29N3S
Molecular Weight631.80 g/mol
Exact Mass631.21
IUPAC Name2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile
SMILESN#Cc1cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C44H29N3S/c45-30-32-29-36(48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35)27-28-37(32)38-23-14-26-44(41(38)31-46)47-42-24-12-10-21-39(42)40-22-11-13-25-43(40)47/h1-29H
InChIKeyDFOVIBGFRCMNAY-UHFFFAOYSA-N
XLogP11.53
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.80
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958337
3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 134604425
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
2-(3-carbazol-9-yl-2-cyanophenyl)-3-triphenylsilylbenzonitrile
CID 147265434
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile (CID 146351134) is 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile is N#Cc1cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?
The InChIKey is DFOVIBGFRCMNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3S/c45-30-32-29-36(48(33-15-4-1-5-16-33,34-17-6-2-7-18-34)35-19-8-3-9-20-35)27-28-37(32)38-23-14-26-44(41(38)31-46)47-42-24-12-10-21-39(42)40-22-11-13-25-43(40)47/h1-29H.
What are the key properties of 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile?
2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile has a molecular weight of 631.80 g/mol, XLogP of 11.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-cyano-4-(triphenyl-λ4-sulfanyl)phenyl]benzonitrile is sourced from PubChem (CID 146351134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).