[2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane

C44H45P3 — CID 87138739

IUPAC[2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane
SMILESCC(C)(C)C(C(P)(c1ccccc1)c1ccccc1)(C(P)(c1ccccc1)c1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H45P3/c1-40(2,3)44(41(45,34-22-10-4-11-23-34)35-24-12-5-13-25-35,42(46,36-26-14-6-15-27-36)37-28-16-7-17-29-37)43(47,38-30-18-8-19-31-38)39-32-20-9-21-33-39/h4-33H,45-47H2,1-3H3
InChIKeyFLNUNBCQWNZPAN-UHFFFAOYSA-N
MW666.77 g/mol
LogP11.48
Rot. Bonds9

About [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane

[2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane (PubChem CID 87138739) has the molecular formula C44H45P3 and a molecular weight of 666.77 g/mol. Its IUPAC name is [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane.

Molecular Properties

Compound Name[2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane
PubChem CID87138739
Molecular FormulaC44H45P3
Molecular Weight666.77 g/mol
Exact Mass666.27
IUPAC Name[2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane
SMILESCC(C)(C)C(C(P)(c1ccccc1)c1ccccc1)(C(P)(c1ccccc1)c1ccccc1)C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H45P3/c1-40(2,3)44(41(45,34-22-10-4-11-23-34)35-24-12-5-13-25-35,42(46,36-26-14-6-15-27-36)37-28-16-7-17-29-37)43(47,38-30-18-8-19-31-38)39-32-20-9-21-33-39/h4-33H,45-47H2,1-3H3
InChIKeyFLNUNBCQWNZPAN-UHFFFAOYSA-N
XLogP11.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.77
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane 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-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
CID 162197471
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(1-bromo-1-phenylethyl)benzene
CID 19019197
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tritylphosphane;hydrate
CID 173373221
2,3,3,4,4-pentamethylpentan-2-ylbenzene
CID 59630443

Frequently Asked Questions

What is the IUPAC name of [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane?
The IUPAC name of [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane (CID 87138739) is [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane.
What is the SMILES notation for [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane?
The canonical SMILES for [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane is CC(C)(C)C(C(P)(c1ccccc1)c1ccccc1)(C(P)(c1ccccc1)c1ccccc1)C(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane?
The InChIKey is FLNUNBCQWNZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45P3/c1-40(2,3)44(41(45,34-22-10-4-11-23-34)35-24-12-5-13-25-35,42(46,36-26-14-6-15-27-36)37-28-16-7-17-29-37)43(47,38-30-18-8-19-31-38)39-32-20-9-21-33-39/h4-33H,45-47H2,1-3H3.
What are the key properties of [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane?
[2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane has a molecular weight of 666.77 g/mol, XLogP of 11.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis[diphenyl(phosphanyl)methyl]-3,3-dimethyl-1,1-diphenylbutyl]phosphane is sourced from PubChem (CID 87138739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).