diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C39H41P — CID 122414026

IUPACdiphenyl-[2-[3-phenyl-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-c1ccccc1
InChIInChI=1S/C39H41P/c1-27(2)34-26-35(28(3)4)39(37(29(5)6)38(34)30-18-10-7-11-19-30)33-24-16-17-25-36(33)40(31-20-12-8-13-21-31)32-22-14-9-15-23-32/h7-29H,1-6H3
InChIKeyQGSIYOJCNCNSSU-UHFFFAOYSA-N
MW540.73 g/mol
LogP10.15
Rot. Bonds8

About diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 122414026) has the molecular formula C39H41P and a molecular weight of 540.73 g/mol. Its IUPAC name is diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID122414026
Molecular FormulaC39H41P
Molecular Weight540.73 g/mol
Exact Mass540.29
IUPAC Namediphenyl-[2-[3-phenyl-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-c1ccccc1
InChIInChI=1S/C39H41P/c1-27(2)34-26-35(28(3)4)39(37(29(5)6)38(34)30-18-10-7-11-19-30)33-24-16-17-25-36(33)40(31-20-12-8-13-21-31)32-22-14-9-15-23-32/h7-29H,1-6H3
InChIKeyQGSIYOJCNCNSSU-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.73
LogP ≤ 510.15
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-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 122414026) is diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[3-phenyl-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-c1ccccc1.
What is the InChIKey of diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is QGSIYOJCNCNSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41P/c1-27(2)34-26-35(28(3)4)39(37(29(5)6)38(34)30-18-10-7-11-19-30)33-24-16-17-25-36(33)40(31-20-12-8-13-21-31)32-22-14-9-15-23-32/h7-29H,1-6H3.
What are the key properties of diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 540.73 g/mol, XLogP of 10.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 122414026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).