bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane

C42H36O3P2 — CID 90341440

IUPACbis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane
SMILESCc1ccccc1C(=O)P(C(=O)c1ccccc1C)C(=O)c1ccccc1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21O3P.C18H15P/c1-16-10-4-7-13-19(16)22(25)28(23(26)20-14-8-5-11-17(20)2)24(27)21-15-9-6-12-18(21)3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-15H,1-3H3;1-15H
InChIKeyMPUQPWNSIQWVOG-UHFFFAOYSA-N
MW650.70 g/mol
LogP9.36
Rot. Bonds9

About bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane

bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane (PubChem CID 90341440) has the molecular formula C42H36O3P2 and a molecular weight of 650.70 g/mol. Its IUPAC name is bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane.

Molecular Properties

Compound Namebis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane
PubChem CID90341440
Molecular FormulaC42H36O3P2
Molecular Weight650.70 g/mol
Exact Mass650.21
IUPAC Namebis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane
SMILESCc1ccccc1C(=O)P(C(=O)c1ccccc1C)C(=O)c1ccccc1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21O3P.C18H15P/c1-16-10-4-7-13-19(16)22(25)28(23(26)20-14-8-5-11-17(20)2)24(27)21-15-9-6-12-18(21)3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-15H,1-3H3;1-15H
InChIKeyMPUQPWNSIQWVOG-UHFFFAOYSA-N
XLogP9.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.70
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane?
The IUPAC name of bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane (CID 90341440) is bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane.
What is the SMILES notation for bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane?
The canonical SMILES for bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane is Cc1ccccc1C(=O)P(C(=O)c1ccccc1C)C(=O)c1ccccc1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane?
The InChIKey is MPUQPWNSIQWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O3P.C18H15P/c1-16-10-4-7-13-19(16)22(25)28(23(26)20-14-8-5-11-17(20)2)24(27)21-15-9-6-12-18(21)3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-15H,1-3H3;1-15H.
What are the key properties of bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane?
bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane has a molecular weight of 650.70 g/mol, XLogP of 9.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane is sourced from PubChem (CID 90341440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).