4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide

C44H34N2O4P2 — CID 177476151

IUPAC4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H34N2O4P2/c47-43(33-21-29-41(30-22-33)51(49,37-13-5-1-6-14-37)38-15-7-2-8-16-38)45-35-25-27-36(28-26-35)46-44(48)34-23-31-42(32-24-34)52(50,39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-32H,(H,45,47)(H,46,48)
InChIKeyYGVNFQKIZPEBEH-UHFFFAOYSA-N
MW716.71 g/mol
LogP7.47
Rot. Bonds10

About 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide

4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide (PubChem CID 177476151) has the molecular formula C44H34N2O4P2 and a molecular weight of 716.71 g/mol. Its IUPAC name is 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
PubChem CID177476151
Molecular FormulaC44H34N2O4P2
Molecular Weight716.71 g/mol
Exact Mass716.20
IUPAC Name4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H34N2O4P2/c47-43(33-21-29-41(30-22-33)51(49,37-13-5-1-6-14-37)38-15-7-2-8-16-38)45-35-25-27-36(28-26-35)46-44(48)34-23-31-42(32-24-34)52(50,39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-32H,(H,45,47)(H,46,48)
InChIKeyYGVNFQKIZPEBEH-UHFFFAOYSA-N
XLogP7.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.71
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
(4-benzamidophenyl)carbamic acid
CID 18543096
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
CID 122397801
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-(phenylcarbamoyl)benzoate
CID 158012761
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide (CID 177476151) is 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide is O=C(Nc1ccc(NC(=O)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide?
The InChIKey is YGVNFQKIZPEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2O4P2/c47-43(33-21-29-41(30-22-33)51(49,37-13-5-1-6-14-37)38-15-7-2-8-16-38)45-35-25-27-36(28-26-35)46-44(48)34-23-31-42(32-24-34)52(50,39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-32H,(H,45,47)(H,46,48).
What are the key properties of 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide?
4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide has a molecular weight of 716.71 g/mol, XLogP of 7.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 177476151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).