(2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one

C49H42O3P2 — CID 132942741

IUPAC(2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one
SMILESCOc1cc(C[C@H](C(=O)c2ccccc2)P(c2ccccc2)c2ccccc2)cc(C[C@H](C(=O)c2ccccc2)P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C49H42O3P2/c1-52-41-33-37(35-46(48(50)39-20-8-2-9-21-39)53(42-24-12-4-13-25-42)43-26-14-5-15-27-43)32-38(34-41)36-47(49(51)40-22-10-3-11-23-40)54(44-28-16-6-17-29-44)45-30-18-7-19-31-45/h2-34,46-47H,35-36H2,1H3/t46-,47-/m1/s1
InChIKeyPZELKFIZJRZWIO-NZCKGYRVSA-N
MW740.82 g/mol
LogP9.55
Rot. Bonds15

About (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one

(2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one (PubChem CID 132942741) has the molecular formula C49H42O3P2 and a molecular weight of 740.82 g/mol. Its IUPAC name is (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one
PubChem CID132942741
Molecular FormulaC49H42O3P2
Molecular Weight740.82 g/mol
Exact Mass740.26
IUPAC Name(2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one
SMILESCOc1cc(C[C@H](C(=O)c2ccccc2)P(c2ccccc2)c2ccccc2)cc(C[C@H](C(=O)c2ccccc2)P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C49H42O3P2/c1-52-41-33-37(35-46(48(50)39-20-8-2-9-21-39)53(42-24-12-4-13-25-42)43-26-14-5-15-27-43)32-38(34-41)36-47(49(51)40-22-10-3-11-23-40)54(44-28-16-6-17-29-44)45-30-18-7-19-31-45/h2-34,46-47H,35-36H2,1H3/t46-,47-/m1/s1
InChIKeyPZELKFIZJRZWIO-NZCKGYRVSA-N
XLogP9.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.82
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-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

3-diphenylphosphanyl-3-[3-(1-diphenylphosphanyl-3-oxo-3-phenylpropyl)-5-methoxyphenyl]-1-phenylpropan-1-one
CID 122372697
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
CID 19390355
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
CID 139118862
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
CID 10319264
3-(3,5-dimethoxyphenyl)-2-sulfanylpropanoic acid
CID 60795029
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one?
The IUPAC name of (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one (CID 132942741) is (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one?
The canonical SMILES for (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one is COc1cc(C[C@H](C(=O)c2ccccc2)P(c2ccccc2)c2ccccc2)cc(C[C@H](C(=O)c2ccccc2)P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one?
The InChIKey is PZELKFIZJRZWIO-NZCKGYRVSA-N. The full InChI is InChI=1S/C49H42O3P2/c1-52-41-33-37(35-46(48(50)39-20-8-2-9-21-39)53(42-24-12-4-13-25-42)43-26-14-5-15-27-43)32-38(34-41)36-47(49(51)40-22-10-3-11-23-40)54(44-28-16-6-17-29-44)45-30-18-7-19-31-45/h2-34,46-47H,35-36H2,1H3/t46-,47-/m1/s1.
What are the key properties of (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one?
(2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one has a molecular weight of 740.82 g/mol, XLogP of 9.55, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-diphenylphosphanyl-3-[3-[(2R)-2-diphenylphosphanyl-3-oxo-3-phenylpropyl]-5-methoxyphenyl]-1-phenylpropan-1-one is sourced from PubChem (CID 132942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).