3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide

C32H22Cl2NOP — CID 118536869

IUPAC3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide
SMILESO=P1(c2ccccc2)c2ccccc2C(c2cccc(Cl)c2)=C(c2cccc(Cl)c2)N1c1ccccc1
InChIInChI=1S/C32H22Cl2NOP/c33-25-13-9-11-23(21-25)31-29-19-7-8-20-30(29)37(36,28-17-5-2-6-18-28)35(27-15-3-1-4-16-27)32(31)24-12-10-14-26(34)22-24/h1-22H
InChIKeyFURBQVWQYXWQAU-UHFFFAOYSA-N
MW538.41 g/mol
LogP8.66
Rot. Bonds4

About 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide

3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide (PubChem CID 118536869) has the molecular formula C32H22Cl2NOP and a molecular weight of 538.41 g/mol. Its IUPAC name is 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide.

Molecular Properties

Compound Name3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide
PubChem CID118536869
Molecular FormulaC32H22Cl2NOP
Molecular Weight538.41 g/mol
Exact Mass537.08
IUPAC Name3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide
SMILESO=P1(c2ccccc2)c2ccccc2C(c2cccc(Cl)c2)=C(c2cccc(Cl)c2)N1c1ccccc1
InChIInChI=1S/C32H22Cl2NOP/c33-25-13-9-11-23(21-25)31-29-19-7-8-20-30(29)37(36,28-17-5-2-6-18-28)35(27-15-3-1-4-16-27)32(31)24-12-10-14-26(34)22-24/h1-22H
InChIKeyFURBQVWQYXWQAU-UHFFFAOYSA-N
XLogP8.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.41
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-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

1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
2-amino-3-(3-chlorophenyl)naphthalene-1,4-dione
CID 90646353
6-(3-chlorophenyl)-3-phenyl-1,4-dihydropyrimidin-2-one
CID 69424931
6-[7-[3-[15-oxo-15-phenyl-14-(4-phenylphenyl)-14-aza-15λ5-phosphatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaen-10-yl]phenyl]triphenylen-2-yl]benzo[c][1,2]benzothiazine 5,5-dioxide
CID 166947012
2-(3-chlorophenyl)benzenesulfinamide
CID 155244785
4-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063
3,4-bis(4-chlorophenyl)-1-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 71739226
5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide
CID 90070094
8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 71291771
2-(2,5-diphenylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(2-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(3-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide;2-phenyl-1,3-bis(4-phenylphenyl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 160945748
2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 169131798

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
The IUPAC name of 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide (CID 118536869) is 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide.
What is the SMILES notation for 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
The canonical SMILES for 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide is O=P1(c2ccccc2)c2ccccc2C(c2cccc(Cl)c2)=C(c2cccc(Cl)c2)N1c1ccccc1.
What is the InChIKey of 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
The InChIKey is FURBQVWQYXWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl2NOP/c33-25-13-9-11-23(21-25)31-29-19-7-8-20-30(29)37(36,28-17-5-2-6-18-28)35(27-15-3-1-4-16-27)32(31)24-12-10-14-26(34)22-24/h1-22H.
What are the key properties of 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide?
3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide has a molecular weight of 538.41 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3-chlorophenyl)-1,2-diphenyl-2,1λ5-benzazaphosphinine 1-oxide is sourced from PubChem (CID 118536869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).