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

C38H32O2P2 — CID 44634324

IUPAC1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene
SMILESO=P(CCP(=O)(c1ccccc1)c1ccccc1-c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C38H32O2P2/c39-41(33-21-9-3-10-22-33,37-27-15-13-25-35(37)31-17-5-1-6-18-31)29-30-42(40,34-23-11-4-12-24-34)38-28-16-14-26-36(38)32-19-7-2-8-20-32/h1-28H,29-30H2
InChIKeyJVNRUKCSEMNRCL-UHFFFAOYSA-N
MW582.62 g/mol
LogP8.35
Rot. Bonds9

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

1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene (PubChem CID 44634324) has the molecular formula C38H32O2P2 and a molecular weight of 582.62 g/mol. Its IUPAC name is 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene.

Molecular Properties

Compound Name1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene
PubChem CID44634324
Molecular FormulaC38H32O2P2
Molecular Weight582.62 g/mol
Exact Mass582.19
IUPAC Name1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene
SMILESO=P(CCP(=O)(c1ccccc1)c1ccccc1-c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C38H32O2P2/c39-41(33-21-9-3-10-22-33,37-27-15-13-25-35(37)31-17-5-1-6-18-31)29-30-42(40,34-23-11-4-12-24-34)38-28-16-14-26-36(38)32-19-7-2-8-20-32/h1-28H,29-30H2
InChIKeyJVNRUKCSEMNRCL-UHFFFAOYSA-N
XLogP8.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.62
LogP ≤ 58.35
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-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
1-[ethyl-(4-phenylphenyl)phosphoryl]-2-[2-[ethyl-(4-phenylphenyl)phosphoryl]phenyl]benzene
CID 59426989
[2-(4-phenylphenyl)phenyl]phosphonic acid
CID 175600433
1-[azido(phenyl)phosphoryl]-2-phenylbenzene
CID 152548936
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
2,3,4,5,6-pentafluoro-N-[phenyl-(2-phenylphenyl)phosphoryl]aniline
CID 102369204
phenylmethoxy-(2-phenylphenyl)phosphinic acid
CID 139679821
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
2,3,4,5,6-pentafluoro-N-[[2-(4-methylphenyl)phenyl]-phenylphosphoryl]aniline
CID 102369210
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
2-deuterio-4-diphenylphosphorylbutan-1-ol
CID 11460046

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene?
The IUPAC name of 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene (CID 44634324) is 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene.
What is the SMILES notation for 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene?
The canonical SMILES for 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene is O=P(CCP(=O)(c1ccccc1)c1ccccc1-c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene?
The InChIKey is JVNRUKCSEMNRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O2P2/c39-41(33-21-9-3-10-22-33,37-27-15-13-25-35(37)31-17-5-1-6-18-31)29-30-42(40,34-23-11-4-12-24-34)38-28-16-14-26-36(38)32-19-7-2-8-20-32/h1-28H,29-30H2.
What are the key properties of 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene?
1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene has a molecular weight of 582.62 g/mol, XLogP of 8.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene is sourced from PubChem (CID 44634324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).