1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile

C21H13ClN2O — CID 66885885

IUPAC1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)n(-c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C21H13ClN2O/c22-18-12-15(10-11-20(18)25)24-19-9-5-4-8-16(19)17(13-23)21(24)14-6-2-1-3-7-14/h1-12,25H
InChIKeyNDHDLJULIOJFGY-UHFFFAOYSA-N
MW344.80 g/mol
LogP5.53
Rot. Bonds2

About 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile

1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile (PubChem CID 66885885) has the molecular formula C21H13ClN2O and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile
PubChem CID66885885
Molecular FormulaC21H13ClN2O
Molecular Weight344.80 g/mol
Exact Mass344.07
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)n(-c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C21H13ClN2O/c22-18-12-15(10-11-20(18)25)24-19-9-5-4-8-16(19)17(13-23)21(24)14-6-2-1-3-7-14/h1-12,25H
InChIKeyNDHDLJULIOJFGY-UHFFFAOYSA-N
XLogP5.53
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.80
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)-2-phenylindole-3-carbonitrile;1-(4-hydroxyphenyl)-2-phenylindole-3-carboxamide;methanol
CID 161179292
1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde
CID 87365150
2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile
CID 162767490
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
2,5-bis(8-carbazol-9-yldibenzofuran-2-yl)-3,6-diphenylbenzene-1,4-dicarbonitrile
CID 146580324
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
CID 22689249
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
CID 167336318
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile (CID 66885885) is 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile is N#Cc1c(-c2ccccc2)n(-c2ccc(O)c(Cl)c2)c2ccccc12.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile?
The InChIKey is NDHDLJULIOJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O/c22-18-12-15(10-11-20(18)25)24-19-9-5-4-8-16(19)17(13-23)21(24)14-6-2-1-3-7-14/h1-12,25H.
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile?
1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile has a molecular weight of 344.80 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile is sourced from PubChem (CID 66885885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).