diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C33H37P — CID 71651620

IUPACdiphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C33H37P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-25H,1-6H3
InChIKeyHCULUUWFPUUYEE-UHFFFAOYSA-N
MW464.63 g/mol
LogP8.48
Rot. Bonds7

About diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 71651620) has the molecular formula C33H37P and a molecular weight of 464.63 g/mol. Its IUPAC name is diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID71651620
Molecular FormulaC33H37P
Molecular Weight464.63 g/mol
Exact Mass464.26
IUPAC Namediphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C33H37P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-25H,1-6H3
InChIKeyHCULUUWFPUUYEE-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 71651620) is diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is CC(C)c1cc(C(C)C)c(-c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1.
What is the InChIKey of diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is HCULUUWFPUUYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-25H,1-6H3.
What are the key properties of diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 464.63 g/mol, XLogP of 8.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 71651620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).