tris(4-prop-1-enylphenyl)phosphane

C27H27P — CID 175722912

IUPACtris(4-prop-1-enylphenyl)phosphane
SMILESCC=Cc1ccc(P(c2ccc(C=CC)cc2)c2ccc(C=CC)cc2)cc1
InChIInChI=1S/C27H27P/c1-4-7-22-10-16-25(17-11-22)28(26-18-12-23(8-5-2)13-19-26)27-20-14-24(9-6-3)15-21-27/h4-21H,1-3H3
InChIKeyNKMDMKRTGBVWEX-UHFFFAOYSA-N
MW382.49 g/mol
LogP6.54
Rot. Bonds6

About tris(4-prop-1-enylphenyl)phosphane

tris(4-prop-1-enylphenyl)phosphane (PubChem CID 175722912) has the molecular formula C27H27P and a molecular weight of 382.49 g/mol. Its IUPAC name is tris(4-prop-1-enylphenyl)phosphane.

Molecular Properties

Compound Nametris(4-prop-1-enylphenyl)phosphane
PubChem CID175722912
Molecular FormulaC27H27P
Molecular Weight382.49 g/mol
Exact Mass382.19
IUPAC Nametris(4-prop-1-enylphenyl)phosphane
SMILESCC=Cc1ccc(P(c2ccc(C=CC)cc2)c2ccc(C=CC)cc2)cc1
InChIInChI=1S/C27H27P/c1-4-7-22-10-16-25(17-11-22)28(26-18-12-23(8-5-2)13-19-26)27-20-14-24(9-6-3)15-21-27/h4-21H,1-3H3
InChIKeyNKMDMKRTGBVWEX-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 56.54
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 tris(4-prop-1-enylphenyl)phosphane?
The IUPAC name of tris(4-prop-1-enylphenyl)phosphane (CID 175722912) is tris(4-prop-1-enylphenyl)phosphane.
What is the SMILES notation for tris(4-prop-1-enylphenyl)phosphane?
The canonical SMILES for tris(4-prop-1-enylphenyl)phosphane is CC=Cc1ccc(P(c2ccc(C=CC)cc2)c2ccc(C=CC)cc2)cc1.
What is the InChIKey of tris(4-prop-1-enylphenyl)phosphane?
The InChIKey is NKMDMKRTGBVWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27P/c1-4-7-22-10-16-25(17-11-22)28(26-18-12-23(8-5-2)13-19-26)27-20-14-24(9-6-3)15-21-27/h4-21H,1-3H3.
What are the key properties of tris(4-prop-1-enylphenyl)phosphane?
tris(4-prop-1-enylphenyl)phosphane has a molecular weight of 382.49 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-prop-1-enylphenyl)phosphane is sourced from PubChem (CID 175722912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).