[3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane

C44H68P2 — CID 87464843

IUPAC[3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane
SMILESCC(C)(C)c1ccc(-c2cc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C44H68P2/c1-37(2,3)31-23-19-29(20-24-31)33-27-35(43(45,39(7,8)9)40(10,11)12)36(44(46,41(13,14)15)42(16,17)18)28-34(33)30-21-25-32(26-22-30)38(4,5)6/h19-28H,45-46H2,1-18H3
InChIKeyGTGBJQCMKMXTQN-UHFFFAOYSA-N
MW658.98 g/mol
LogP13.94
Rot. Bonds4

About [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane

[3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane (PubChem CID 87464843) has the molecular formula C44H68P2 and a molecular weight of 658.98 g/mol. Its IUPAC name is [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane.

Molecular Properties

Compound Name[3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane
PubChem CID87464843
Molecular FormulaC44H68P2
Molecular Weight658.98 g/mol
Exact Mass658.48
IUPAC Name[3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane
SMILESCC(C)(C)c1ccc(-c2cc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C44H68P2/c1-37(2,3)31-23-19-29(20-24-31)33-27-35(43(45,39(7,8)9)40(10,11)12)36(44(46,41(13,14)15)42(16,17)18)28-34(33)30-21-25-32(26-22-30)38(4,5)6/h19-28H,45-46H2,1-18H3
InChIKeyGTGBJQCMKMXTQN-UHFFFAOYSA-N
XLogP13.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.98
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane?
The IUPAC name of [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane (CID 87464843) is [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane.
What is the SMILES notation for [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane?
The canonical SMILES for [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane is CC(C)(C)c1ccc(-c2cc(C(P)(C(C)(C)C)C(C)(C)C)c(C(P)(C(C)(C)C)C(C)(C)C)cc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane?
The InChIKey is GTGBJQCMKMXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H68P2/c1-37(2,3)31-23-19-29(20-24-31)33-27-35(43(45,39(7,8)9)40(10,11)12)36(44(46,41(13,14)15)42(16,17)18)28-34(33)30-21-25-32(26-22-30)38(4,5)6/h19-28H,45-46H2,1-18H3.
What are the key properties of [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane?
[3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane has a molecular weight of 658.98 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane is sourced from PubChem (CID 87464843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).