4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile

C37H22N2S — CID 126610460

IUPAC4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C37H22N2S/c38-23-24-13-15-25(16-14-24)27-19-28(26-17-18-37-33(22-26)32-9-3-6-12-36(32)40-37)21-29(20-27)39-34-10-4-1-7-30(34)31-8-2-5-11-35(31)39/h1-22H
InChIKeyURZCGGHEMFZGGE-UHFFFAOYSA-N
MW526.66 g/mol
LogP10.36
Rot. Bonds3

About 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile

4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile (PubChem CID 126610460) has the molecular formula C37H22N2S and a molecular weight of 526.66 g/mol. Its IUPAC name is 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
PubChem CID126610460
Molecular FormulaC37H22N2S
Molecular Weight526.66 g/mol
Exact Mass526.15
IUPAC Name4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C37H22N2S/c38-23-24-13-15-25(16-14-24)27-19-28(26-17-18-37-33(22-26)32-9-3-6-12-36(32)40-37)21-29(20-27)39-34-10-4-1-7-30(34)31-8-2-5-11-35(31)39/h1-22H
InChIKeyURZCGGHEMFZGGE-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-cyano-5-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 126761669
4-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576052
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 150999428
4-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzothiophen-3-ylphenyl]phenyl]benzonitrile
CID 139339907
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
3-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576049
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile?
The IUPAC name of 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile (CID 126610460) is 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile.
What is the SMILES notation for 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile?
The canonical SMILES for 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile is N#Cc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile?
The InChIKey is URZCGGHEMFZGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2S/c38-23-24-13-15-25(16-14-24)27-19-28(26-17-18-37-33(22-26)32-9-3-6-12-36(32)40-37)21-29(20-27)39-34-10-4-1-7-30(34)31-8-2-5-11-35(31)39/h1-22H.
What are the key properties of 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile?
4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)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 4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile is sourced from PubChem (CID 126610460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).