(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane

C30H34P2 — CID 159058846

IUPAC(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
SMILESC.CC(C)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30P2.CH4/c1-29(2,23-30(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24-31(27-19-11-5-12-20-27)28-21-13-6-14-22-28;/h3-22H,23-24H2,1-2H3;1H4
InChIKeyJYEYDQHRAMTNTA-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.91
Rot. Bonds8

About (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane

(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane (PubChem CID 159058846) has the molecular formula C30H34P2 and a molecular weight of 456.55 g/mol. Its IUPAC name is (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane.

Molecular Properties

Compound Name(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
PubChem CID159058846
Molecular FormulaC30H34P2
Molecular Weight456.55 g/mol
Exact Mass456.21
IUPAC Name(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
SMILESC.CC(C)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30P2.CH4/c1-29(2,23-30(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24-31(27-19-11-5-12-20-27)28-21-13-6-14-22-28;/h3-22H,23-24H2,1-2H3;1H4
InChIKeyJYEYDQHRAMTNTA-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
carbon monoxide;chromium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
CID 134898996
2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
CID 143507398
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane
CID 139171150
(1,1-dibromo-2-diphenylphosphanylethyl)-diphenylphosphane
CID 21297174
1,2-bis(diphenylphosphanyl)ethane-1,1-dithiol
CID 88810681
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429

Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane?
The IUPAC name of (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane (CID 159058846) is (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane.
What is the SMILES notation for (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane?
The canonical SMILES for (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane is C.CC(C)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane?
The InChIKey is JYEYDQHRAMTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30P2.CH4/c1-29(2,23-30(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24-31(27-19-11-5-12-20-27)28-21-13-6-14-22-28;/h3-22H,23-24H2,1-2H3;1H4.
What are the key properties of (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane?
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane has a molecular weight of 456.55 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane is sourced from PubChem (CID 159058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).