2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one

C37H26NOP — CID 2780900

IUPAC2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one
SMILESO=C1C(c2ccccc2)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C37H26NOP/c39-37-33-26-14-18-27-17-13-25-32(34(27)33)36(35(37)28-15-5-1-6-16-28)38-40(29-19-7-2-8-20-29,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKeyBAZXHTQUMOXTMM-UHFFFAOYSA-N
MW531.60 g/mol
LogP8.08
Rot. Bonds5

About 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one

2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one (PubChem CID 2780900) has the molecular formula C37H26NOP and a molecular weight of 531.60 g/mol. Its IUPAC name is 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one.

Molecular Properties

Compound Name2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one
PubChem CID2780900
Molecular FormulaC37H26NOP
Molecular Weight531.60 g/mol
Exact Mass531.18
IUPAC Name2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one
SMILESO=C1C(c2ccccc2)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C37H26NOP/c39-37-33-26-14-18-27-17-13-25-32(34(27)33)36(35(37)28-15-5-1-6-16-28)38-40(29-19-7-2-8-20-29,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKeyBAZXHTQUMOXTMM-UHFFFAOYSA-N
XLogP8.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.60
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one 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

1,5-bis[(triphenyl-λ5-phosphanylidene)amino]anthracene-9,10-dione
CID 15579044
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
1-phenylbenzo[b]phenalen-7-one
CID 12547034
carbon dioxide;7,9-dimethylcyclopenta[a]acenaphthylen-8-one;7,9-diphenylcyclopenta[a]acenaphthylen-8-one;methane;7-methyl-9-phenylcyclopenta[a]acenaphthylen-8-one
CID 159510642
benzo[a]phenalen-7-one;ethane
CID 90765972
2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
CID 6509374
triphenyl-[4-(4-phenylphenyl)phenyl]imino-λ5-phosphane
CID 101426516
triphenyl-(3-phenylcyclohepta[b]pyrrol-8-yl)imino-lambda5-phosphane
CID 11167544
fluoranthene
CID 139203734
7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide
CID 101475124
7,9-bis(3-bromophenyl)cyclopenta[a]acenaphthylen-8-one
CID 118038191

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one?
The IUPAC name of 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one (CID 2780900) is 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one.
What is the SMILES notation for 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one?
The canonical SMILES for 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one is O=C1C(c2ccccc2)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc3cccc1c23.
What is the InChIKey of 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one?
The InChIKey is BAZXHTQUMOXTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26NOP/c39-37-33-26-14-18-27-17-13-25-32(34(27)33)36(35(37)28-15-5-1-6-16-28)38-40(29-19-7-2-8-20-29,30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H.
What are the key properties of 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one?
2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one has a molecular weight of 531.60 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]phenalen-1-one is sourced from PubChem (CID 2780900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).