[2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane

C38H32P2 — CID 10985391

IUPAC[2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2ccccc2-c2ccccc2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32P2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)38-28-16-14-18-32(38)30-40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H,29-30H2
InChIKeySZKMTZNASRXXCE-UHFFFAOYSA-N
MW550.62 g/mol
LogP8.62
Rot. Bonds9

About [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane

[2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane (PubChem CID 10985391) has the molecular formula C38H32P2 and a molecular weight of 550.62 g/mol. Its IUPAC name is [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane
PubChem CID10985391
Molecular FormulaC38H32P2
Molecular Weight550.62 g/mol
Exact Mass550.20
IUPAC Name[2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2ccccc2-c2ccccc2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H32P2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)38-28-16-14-18-32(38)30-40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H,29-30H2
InChIKeySZKMTZNASRXXCE-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane?
The IUPAC name of [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane (CID 10985391) is [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane.
What is the SMILES notation for [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane?
The canonical SMILES for [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane is c1ccc(P(Cc2ccccc2-c2ccccc2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane?
The InChIKey is SZKMTZNASRXXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32P2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)38-28-16-14-18-32(38)30-40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H,29-30H2.
What are the key properties of [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane?
[2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane has a molecular weight of 550.62 g/mol, XLogP of 8.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane is sourced from PubChem (CID 10985391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).