3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile

C31H19N2OP — CID 121310641

IUPAC3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2P4(=O)c2ccccc2)c1
InChIInChI=1S/C31H19N2OP/c32-20-21-9-8-10-22(19-21)33-27-15-6-4-14-26(27)30-28(33)18-17-25-24-13-5-7-16-29(24)35(34,31(25)30)23-11-2-1-3-12-23/h1-19H
InChIKeyPSCCOTFEOFAICU-UHFFFAOYSA-N
MW466.48 g/mol
LogP6.28
Rot. Bonds2

About 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile

3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 121310641) has the molecular formula C31H19N2OP and a molecular weight of 466.48 g/mol. Its IUPAC name is 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID121310641
Molecular FormulaC31H19N2OP
Molecular Weight466.48 g/mol
Exact Mass466.12
IUPAC Name3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2P4(=O)c2ccccc2)c1
InChIInChI=1S/C31H19N2OP/c32-20-21-9-8-10-22(19-21)33-27-15-6-4-14-26(27)30-28(33)18-17-25-24-13-5-7-16-29(24)35(34,31(25)30)23-11-2-1-3-12-23/h1-19H
InChIKeyPSCCOTFEOFAICU-UHFFFAOYSA-N
XLogP6.28
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-isocyano-5-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 140713870
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
9,9-dimethyl-7-[10-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 121310650
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
5-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 161379261
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310584

Frequently Asked Questions

What is the IUPAC name of 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 121310641) is 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2P4(=O)c2ccccc2)c1.
What is the InChIKey of 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is PSCCOTFEOFAICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2OP/c32-20-21-9-8-10-22(19-21)33-27-15-6-4-14-26(27)30-28(33)18-17-25-24-13-5-7-16-29(24)35(34,31(25)30)23-11-2-1-3-12-23/h1-19H.
What are the key properties of 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile?
3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 466.48 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 121310641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).