1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene

C40H36O2P2 — CID 59426989

IUPAC1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene
SMILESCCP(=O)(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1P(=O)(CC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H36O2P2/c1-3-43(41,35-27-23-33(24-28-35)31-15-7-5-8-16-31)39-21-13-11-19-37(39)38-20-12-14-22-40(38)44(42,4-2)36-29-25-34(26-30-36)32-17-9-6-10-18-32/h5-30H,3-4H2,1-2H3
InChIKeyIYYQQICQEPYBIT-UHFFFAOYSA-N
MW610.67 g/mol
LogP9.36
Rot. Bonds9

About 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene

1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene (PubChem CID 59426989) has the molecular formula C40H36O2P2 and a molecular weight of 610.67 g/mol. Its IUPAC name is 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene.

Molecular Properties

Compound Name1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene
PubChem CID59426989
Molecular FormulaC40H36O2P2
Molecular Weight610.67 g/mol
Exact Mass610.22
IUPAC Name1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene
SMILESCCP(=O)(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1P(=O)(CC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C40H36O2P2/c1-3-43(41,35-27-23-33(24-28-35)31-15-7-5-8-16-31)39-21-13-11-19-37(39)38-20-12-14-22-40(38)44(42,4-2)36-29-25-34(26-30-36)32-17-9-6-10-18-32/h5-30H,3-4H2,1-2H3
InChIKeyIYYQQICQEPYBIT-UHFFFAOYSA-N
XLogP9.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.67
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene?
The IUPAC name of 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene (CID 59426989) is 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene.
What is the SMILES notation for 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene?
The canonical SMILES for 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene is CCP(=O)(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1P(=O)(CC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene?
The InChIKey is IYYQQICQEPYBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O2P2/c1-3-43(41,35-27-23-33(24-28-35)31-15-7-5-8-16-31)39-21-13-11-19-37(39)38-20-12-14-22-40(38)44(42,4-2)36-29-25-34(26-30-36)32-17-9-6-10-18-32/h5-30H,3-4H2,1-2H3.
What are the key properties of 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene?
1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene has a molecular weight of 610.67 g/mol, XLogP of 9.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene is sourced from PubChem (CID 59426989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).