[2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane

C34H29P — CID 175500428

IUPAC[2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane
SMILESCC=C(C)c1cc2c3c(cccc3c1-c1ccccc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C34H29P/c1-3-24(2)31-23-26-22-21-25-13-12-19-30(33(25)26)34(31)29-18-10-11-20-32(29)35(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h3-20,23H,21-22H2,1-2H3
InChIKeyYTFKTQBCQBRJDZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP7.79
Rot. Bonds5

About [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane

[2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane (PubChem CID 175500428) has the molecular formula C34H29P and a molecular weight of 468.58 g/mol. Its IUPAC name is [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane
PubChem CID175500428
Molecular FormulaC34H29P
Molecular Weight468.58 g/mol
Exact Mass468.20
IUPAC Name[2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane
SMILESCC=C(C)c1cc2c3c(cccc3c1-c1ccccc1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C34H29P/c1-3-24(2)31-23-26-22-21-25-13-12-19-30(33(25)26)34(31)29-18-10-11-20-32(29)35(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h3-20,23H,21-22H2,1-2H3
InChIKeyYTFKTQBCQBRJDZ-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 57.79
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 [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane (CID 175500428) is [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane is CC=C(C)c1cc2c3c(cccc3c1-c1ccccc1P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane?
The InChIKey is YTFKTQBCQBRJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29P/c1-3-24(2)31-23-26-22-21-25-13-12-19-30(33(25)26)34(31)29-18-10-11-20-32(29)35(27-14-6-4-7-15-27)28-16-8-5-9-17-28/h3-20,23H,21-22H2,1-2H3.
What are the key properties of [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane?
[2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane has a molecular weight of 468.58 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-but-2-en-2-yl-1,2-dihydroacenaphthylen-5-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 175500428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).