[2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane

C53H62P2 — CID 22672814

IUPAC[2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCCCC(CCC)(C(c1ccccc1)P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)C(c1ccccc1)P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C53H62P2/c1-11-23-53(24-12-2,51(45-19-15-13-16-20-45)54(47-29-37(3)25-38(4)30-47)48-31-39(5)26-40(6)32-48)52(46-21-17-14-18-22-46)55(49-33-41(7)27-42(8)34-49)50-35-43(9)28-44(10)36-50/h13-22,25-36,51-52H,11-12,23-24H2,1-10H3
InChIKeySBNVVWCRXYIJKH-UHFFFAOYSA-N
MW761.03 g/mol
LogP13.79
Rot. Bonds14

About [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane

[2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane (PubChem CID 22672814) has the molecular formula C53H62P2 and a molecular weight of 761.03 g/mol. Its IUPAC name is [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane
PubChem CID22672814
Molecular FormulaC53H62P2
Molecular Weight761.03 g/mol
Exact Mass760.43
IUPAC Name[2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCCCC(CCC)(C(c1ccccc1)P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)C(c1ccccc1)P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C53H62P2/c1-11-23-53(24-12-2,51(45-19-15-13-16-20-45)54(47-29-37(3)25-38(4)30-47)48-31-39(5)26-40(6)32-48)52(46-21-17-14-18-22-46)55(49-33-41(7)27-42(8)34-49)50-35-43(9)28-44(10)36-50/h13-22,25-36,51-52H,11-12,23-24H2,1-10H3
InChIKeySBNVVWCRXYIJKH-UHFFFAOYSA-N
XLogP13.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-bis(3,5-dimethylphenyl)phosphanyl-2,2-dimethyl-1,3-diphenylpropyl]-bis(3,5-dimethylphenyl)phosphane
CID 22672771
2,2-dimethylpentylbenzene
CID 15727699
[2-[bis(4-tert-butylphenyl)phosphanyl-phenylmethyl]-2-methyl-1-phenylbutyl]-bis(4-tert-butylphenyl)phosphane
CID 87659208
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane
CID 139716046
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
2,2,5,5-tetramethyloctan-3-ylbenzene
CID 144612557
1-phenylpentane-2,2-diol
CID 56635388
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
CID 101382224
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098

Frequently Asked Questions

What is the IUPAC name of [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane (CID 22672814) is [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane is CCCC(CCC)(C(c1ccccc1)P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)C(c1ccccc1)P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is SBNVVWCRXYIJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H62P2/c1-11-23-53(24-12-2,51(45-19-15-13-16-20-45)54(47-29-37(3)25-38(4)30-47)48-31-39(5)26-40(6)32-48)52(46-21-17-14-18-22-46)55(49-33-41(7)27-42(8)34-49)50-35-43(9)28-44(10)36-50/h13-22,25-36,51-52H,11-12,23-24H2,1-10H3.
What are the key properties of [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane?
[2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 761.03 g/mol, XLogP of 13.79, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(3,5-dimethylphenyl)phosphanyl-phenylmethyl]-1-phenyl-2-propylpentyl]-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 22672814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).