1,2-bis[bis(4-methylphenyl)phosphoryl]benzene

C34H32O2P2 — CID 139462616

IUPAC1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccccc2P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C34H32O2P2/c1-25-9-17-29(18-10-25)37(35,30-19-11-26(2)12-20-30)33-7-5-6-8-34(33)38(36,31-21-13-27(3)14-22-31)32-23-15-28(4)16-24-32/h5-24H,1-4H3
InChIKeyKJFDUPHKCITCGT-UHFFFAOYSA-N
MW534.58 g/mol
LogP6.20
Rot. Bonds6

About 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene

1,2-bis[bis(4-methylphenyl)phosphoryl]benzene (PubChem CID 139462616) has the molecular formula C34H32O2P2 and a molecular weight of 534.58 g/mol. Its IUPAC name is 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene.

Molecular Properties

Compound Name1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
PubChem CID139462616
Molecular FormulaC34H32O2P2
Molecular Weight534.58 g/mol
Exact Mass534.19
IUPAC Name1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)c2ccccc2P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C34H32O2P2/c1-25-9-17-29(18-10-25)37(35,30-19-11-26(2)12-20-30)33-7-5-6-8-34(33)38(36,31-21-13-27(3)14-22-31)32-23-15-28(4)16-24-32/h5-24H,1-4H3
InChIKeyKJFDUPHKCITCGT-UHFFFAOYSA-N
XLogP6.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.58
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
CID 15910881
1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene
CID 143956101
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 150421985
1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene
CID 20750497
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-dibromophosphoryl-4-methylbenzene
CID 154160325
1-difluorophosphoryl-4-methylbenzene
CID 23418656
1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
CID 100916039
2-diphenylphosphorylphenol
CID 626229
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene?
The IUPAC name of 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene (CID 139462616) is 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene.
What is the SMILES notation for 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene?
The canonical SMILES for 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene is Cc1ccc(P(=O)(c2ccc(C)cc2)c2ccccc2P(=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene?
The InChIKey is KJFDUPHKCITCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O2P2/c1-25-9-17-29(18-10-25)37(35,30-19-11-26(2)12-20-30)33-7-5-6-8-34(33)38(36,31-21-13-27(3)14-22-31)32-23-15-28(4)16-24-32/h5-24H,1-4H3.
What are the key properties of 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene?
1,2-bis[bis(4-methylphenyl)phosphoryl]benzene has a molecular weight of 534.58 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[bis(4-methylphenyl)phosphoryl]benzene is sourced from PubChem (CID 139462616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).