3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile

C37H22N2S — CID 126761716

IUPAC3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H22N2S/c38-23-24-19-27(21-28(20-24)39-34-15-6-4-11-30(34)31-12-5-7-16-35(31)39)29-13-8-14-32-33-22-26(25-9-2-1-3-10-25)17-18-36(33)40-37(29)32/h1-22H
InChIKeyYTFIWFOXCVBALD-UHFFFAOYSA-N
MW526.66 g/mol
LogP10.36
Rot. Bonds3

About 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile

3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile (PubChem CID 126761716) has the molecular formula C37H22N2S and a molecular weight of 526.66 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile
PubChem CID126761716
Molecular FormulaC37H22N2S
Molecular Weight526.66 g/mol
Exact Mass526.15
IUPAC Name3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C37H22N2S/c38-23-24-19-27(21-28(20-24)39-34-15-6-4-11-30(34)31-12-5-7-16-35(31)39)29-13-8-14-32-33-22-26(25-9-2-1-3-10-25)17-18-36(33)40-37(29)32/h1-22H
InChIKeyYTFIWFOXCVBALD-UHFFFAOYSA-N
XLogP10.36
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
9-[3-cyano-5-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 126761669
9-[3-cyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole-3,6-dicarbonitrile
CID 126761763
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
(Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
CID 144644305
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-dibenzothiophen-4-yl-5-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]benzonitrile
CID 90393153
3-[4-[3-(3-dibenzothiophen-4-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 130231244
3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
CID 126761717
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile?
The IUPAC name of 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile (CID 126761716) is 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile is N#Cc1cc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile?
The InChIKey is YTFIWFOXCVBALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2S/c38-23-24-19-27(21-28(20-24)39-34-15-6-4-11-30(34)31-12-5-7-16-35(31)39)29-13-8-14-32-33-22-26(25-9-2-1-3-10-25)17-18-36(33)40-37(29)32/h1-22H.
What are the key properties of 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile?
3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile has a molecular weight of 526.66 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile is sourced from PubChem (CID 126761716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).