5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C31H19N2OP — CID 140713872

IUPAC5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2P4(=O)c2ccccc2)cc1
InChIInChI=1S/C31H19N2OP/c1-32-21-15-17-22(18-16-21)33-27-13-7-5-12-26(27)30-28(33)20-19-25-24-11-6-8-14-29(24)35(34,31(25)30)23-9-3-2-4-10-23/h2-20H
InChIKeyXWOJTNDPMGWSRW-UHFFFAOYSA-N
MW466.48 g/mol
LogP6.95
Rot. Bonds2

About 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 140713872) has the molecular formula C31H19N2OP and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID140713872
Molecular FormulaC31H19N2OP
Molecular Weight466.48 g/mol
Exact Mass466.12
IUPAC Name5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2P4(=O)c2ccccc2)cc1
InChIInChI=1S/C31H19N2OP/c1-32-21-15-17-22(18-16-21)33-27-13-7-5-12-26(27)30-28(33)20-19-25-24-11-6-8-14-29(24)35(34,31(25)30)23-9-3-2-4-10-23/h2-20H
InChIKeyXWOJTNDPMGWSRW-UHFFFAOYSA-N
XLogP6.95
TPSA26.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
3-isocyano-5-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 140713870
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
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-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310710
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 121310641
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide
CID 121310717

Frequently Asked Questions

What is the IUPAC name of 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 140713872) is 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is [C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2P4(=O)c2ccccc2)cc1.
What is the InChIKey of 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is XWOJTNDPMGWSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2OP/c1-32-21-15-17-22(18-16-21)33-27-13-7-5-12-26(27)30-28(33)20-19-25-24-11-6-8-14-29(24)35(34,31(25)30)23-9-3-2-4-10-23/h2-20H.
What are the key properties of 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 466.48 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-isocyanophenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 140713872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).