tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane

C43H56P2 — CID 175362928

About tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane

tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane (PubChem CID 175362928) has the molecular formula C43H56P2 and a molecular weight of 634.87 g/mol. Its IUPAC name is tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane.

Molecular Properties

• Compound Name: tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane
• PubChem CID: 175362928
• Molecular Formula: C43H56P2
• Molecular Weight: 634.87 g/mol
• Exact Mass: 634.39
• IUPAC Name: tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane
• SMILES: CC(C)c1cc(C(C)C)c(-c2c(P(c3ccccc3)C3CCCCC3)cccc2P(c2ccccc2)C(C)(C)C)c(C(C)C)c1
• InChI: InChI=1S/C43H56P2/c1-30(2)33-28-37(31(3)4)41(38(29-33)32(5)6)42-39(44(34-20-13-10-14-21-34)35-22-15-11-16-23-35)26-19-27-40(42)45(43(7,8)9)36-24-17-12-18-25-36/h10,12-14,17-21,24-32,35H,11,15-16,22-23H2,1-9H3
• InChIKey: AVEWNIYFMNYTHJ-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.87
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane?

The IUPAC name of tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane (CID 175362928) is tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane.

What is the SMILES notation for tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane?

The canonical SMILES for tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane is CC(C)c1cc(C(C)C)c(-c2c(P(c3ccccc3)C3CCCCC3)cccc2P(c2ccccc2)C(C)(C)C)c(C(C)C)c1.

What is the InChIKey of tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane?

The InChIKey is AVEWNIYFMNYTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56P2/c1-30(2)33-28-37(31(3)4)41(38(29-33)32(5)6)42-39(44(34-20-13-10-14-21-34)35-22-15-11-16-23-35)26-19-27-40(42)45(43(7,8)9)36-24-17-12-18-25-36/h10,12-14,17-21,24-32,35H,11,15-16,22-23H2,1-9H3.

What are the key properties of tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane?

tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane has a molecular weight of 634.87 g/mol, XLogP of 11.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[cyclohexyl(phenyl)phosphanyl]-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenylphosphane is sourced from PubChem (CID 175362928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).