di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane

C19H21P — CID 101234182

IUPACdi(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(C2C=CC=C2)C2C=CC=C2)c(C)c1
InChIInChI=1S/C19H21P/c1-14-12-15(2)19(16(3)13-14)20(17-8-4-5-9-17)18-10-6-7-11-18/h4-13,17-18H,1-3H3
InChIKeyLHLPEEYXLIMSDK-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.71
Rot. Bonds3

About di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane

di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane (PubChem CID 101234182) has the molecular formula C19H21P and a molecular weight of 280.35 g/mol. Its IUPAC name is di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Namedi(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane
PubChem CID101234182
Molecular FormulaC19H21P
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Namedi(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(C2C=CC=C2)C2C=CC=C2)c(C)c1
InChIInChI=1S/C19H21P/c1-14-12-15(2)19(16(3)13-14)20(17-8-4-5-9-17)18-10-6-7-11-18/h4-13,17-18H,1-3H3
InChIKeyLHLPEEYXLIMSDK-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.71
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 di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane (CID 101234182) is di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(P(C2C=CC=C2)C2C=CC=C2)c(C)c1.
What is the InChIKey of di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is LHLPEEYXLIMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21P/c1-14-12-15(2)19(16(3)13-14)20(17-8-4-5-9-17)18-10-6-7-11-18/h4-13,17-18H,1-3H3.
What are the key properties of di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane?
di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 280.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-2,4-dien-1-yl)-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 101234182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).