4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile

C37H24N2S — CID 135233863

IUPAC4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3sc4ccc(C5C=Cc6c(c7ccccc7n6-c6ccccc6)C5)cc4c3c2)cc1
InChIInChI=1S/C37H24N2S/c38-23-24-10-12-25(13-11-24)26-15-18-36-32(21-26)33-22-28(16-19-37(33)40-36)27-14-17-35-31(20-27)30-8-4-5-9-34(30)39(35)29-6-2-1-3-7-29/h1-19,21-22,27H,20H2
InChIKeyRIJJCWAQHCKEDW-UHFFFAOYSA-N
MW528.68 g/mol
LogP9.89
Rot. Bonds3

About 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile

4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile (PubChem CID 135233863) has the molecular formula C37H24N2S and a molecular weight of 528.68 g/mol. Its IUPAC name is 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
PubChem CID135233863
Molecular FormulaC37H24N2S
Molecular Weight528.68 g/mol
Exact Mass528.17
IUPAC Name4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3sc4ccc(C5C=Cc6c(c7ccccc7n6-c6ccccc6)C5)cc4c3c2)cc1
InChIInChI=1S/C37H24N2S/c38-23-24-10-12-25(13-11-24)26-15-18-36-32(21-26)33-22-28(16-19-37(33)40-36)27-14-17-35-31(20-27)30-8-4-5-9-34(30)39(35)29-6-2-1-3-7-29/h1-19,21-22,27H,20H2
InChIKeyRIJJCWAQHCKEDW-UHFFFAOYSA-N
XLogP9.89
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.68
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-5-[4-[3-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 71086025
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
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 126610460
9-[4-[3-(9-thiapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole
CID 129272471
4-phenyl-2-[2-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-h]quinazoline
CID 145186637
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
3-[9-[4,6-bis(8-fluorodibenzothiophen-2-yl)pyrimidin-2-yl]-1,2-dihydrocarbazol-2-yl]-9-phenylcarbazole
CID 144597225
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
8-bromodibenzothiophene-2-carbonitrile;molecular hydrogen;8-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-2-carbonitrile
CID 159682424

Frequently Asked Questions

What is the IUPAC name of 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile?
The IUPAC name of 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile (CID 135233863) is 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile.
What is the SMILES notation for 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile?
The canonical SMILES for 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3sc4ccc(C5C=Cc6c(c7ccccc7n6-c6ccccc6)C5)cc4c3c2)cc1.
What is the InChIKey of 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile?
The InChIKey is RIJJCWAQHCKEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2S/c38-23-24-10-12-25(13-11-24)26-15-18-36-32(21-26)33-22-28(16-19-37(33)40-36)27-14-17-35-31(20-27)30-8-4-5-9-34(30)39(35)29-6-2-1-3-7-29/h1-19,21-22,27H,20H2.
What are the key properties of 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile?
4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile has a molecular weight of 528.68 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile is sourced from PubChem (CID 135233863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).