[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane

C40H44OP2 — CID 89356515

IUPAC[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
SMILESCCCC(CC)(Pc1c(C)cccc1P(c1ccccc1)c1ccccc1)c1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C40H44OP2/c1-6-26-40(7-2,36-28-30(3)27-32(5)38(36)41-29-33-19-11-8-12-20-33)42-39-31(4)18-17-25-37(39)43(34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-25,27-28,42H,6-7,26,29H2,1-5H3
InChIKeyXOBZSOLGBHDOHM-UHFFFAOYSA-N
MW602.74 g/mol
LogP9.36
Rot. Bonds12

About [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane

[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane (PubChem CID 89356515) has the molecular formula C40H44OP2 and a molecular weight of 602.74 g/mol. Its IUPAC name is [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
PubChem CID89356515
Molecular FormulaC40H44OP2
Molecular Weight602.74 g/mol
Exact Mass602.29
IUPAC Name[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
SMILESCCCC(CC)(Pc1c(C)cccc1P(c1ccccc1)c1ccccc1)c1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C40H44OP2/c1-6-26-40(7-2,36-28-30(3)27-32(5)38(36)41-29-33-19-11-8-12-20-33)42-39-31(4)18-17-25-37(39)43(34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-25,27-28,42H,6-7,26,29H2,1-5H3
InChIKeyXOBZSOLGBHDOHM-UHFFFAOYSA-N
XLogP9.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89214692
[2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356670
1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356451
1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 88969336
1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356303
N-[[2-[3-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040012
N-benzyl-N-[[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]methyl]-1-phenylmethanamine
CID 71040157
3-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)heptan-3-yl-methylphosphane
CID 71040219
1-[2-[3-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-3-ylphosphanyl]-3-methylphenyl]-N-phenylmethanimine
CID 71039995
1-[2-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]-3-methylphenyl]-N-methyl-1-phenylmethanimine
CID 88968917
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
The IUPAC name of [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane (CID 89356515) is [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane.
What is the SMILES notation for [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
The canonical SMILES for [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane is CCCC(CC)(Pc1c(C)cccc1P(c1ccccc1)c1ccccc1)c1cc(C)cc(C)c1OCc1ccccc1.
What is the InChIKey of [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
The InChIKey is XOBZSOLGBHDOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44OP2/c1-6-26-40(7-2,36-28-30(3)27-32(5)38(36)41-29-33-19-11-8-12-20-33)42-39-31(4)18-17-25-37(39)43(34-21-13-9-14-22-34)35-23-15-10-16-24-35/h8-25,27-28,42H,6-7,26,29H2,1-5H3.
What are the key properties of [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane?
[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane has a molecular weight of 602.74 g/mol, XLogP of 9.36, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane is sourced from PubChem (CID 89356515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).