2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide

C44H34N2O2P2 — CID 5242066

IUPAC2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H34N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-32H,(H,45,47)(H,46,48)
InChIKeyGGNHSAPYNLPQEX-UHFFFAOYSA-N
MW684.72 g/mol
LogP7.71
Rot. Bonds10

About 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide

2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide (PubChem CID 5242066) has the molecular formula C44H34N2O2P2 and a molecular weight of 684.72 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
PubChem CID5242066
Molecular FormulaC44H34N2O2P2
Molecular Weight684.72 g/mol
Exact Mass684.21
IUPAC Name2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H34N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-32H,(H,45,47)(H,46,48)
InChIKeyGGNHSAPYNLPQEX-UHFFFAOYSA-N
XLogP7.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.72
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide
CID 142035963
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
(15R,16R)-15-N,16-N-bis(2-diphenylphosphanylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
CID 11814772
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
azane;phthalic acid;bis(triphenylphosphane)
CID 175988092
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
propan-2-one;triphenylphosphane;hydrate
CID 118484852

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide (CID 5242066) is 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide is O=C(Nc1ccccc1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide?
The InChIKey is GGNHSAPYNLPQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-32H,(H,45,47)(H,46,48).
What are the key properties of 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide?
2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide has a molecular weight of 684.72 g/mol, XLogP of 7.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 5242066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).