(2-anthracen-9-ylphenyl)-dicyclohexylphosphane

C32H35P — CID 127262691

IUPAC(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
SMILESc1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C32H35P/c1-3-15-26(16-4-1)33(27-17-5-2-6-18-27)31-22-12-11-21-30(31)32-28-19-9-7-13-24(28)23-25-14-8-10-20-29(25)32/h7-14,19-23,26-27H,1-6,15-18H2
InChIKeyAQBBDKAQAQZXNS-UHFFFAOYSA-N
MW450.61 g/mol
LogP9.43
Rot. Bonds4

About (2-anthracen-9-ylphenyl)-dicyclohexylphosphane

(2-anthracen-9-ylphenyl)-dicyclohexylphosphane (PubChem CID 127262691) has the molecular formula C32H35P and a molecular weight of 450.61 g/mol. Its IUPAC name is (2-anthracen-9-ylphenyl)-dicyclohexylphosphane.

Molecular Properties

Compound Name(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
PubChem CID127262691
Molecular FormulaC32H35P
Molecular Weight450.61 g/mol
Exact Mass450.25
IUPAC Name(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
SMILESc1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C32H35P/c1-3-15-26(16-4-1)33(27-17-5-2-6-18-27)31-22-12-11-21-30(31)32-28-19-9-7-13-24(28)23-25-14-8-10-20-29(25)32/h7-14,19-23,26-27H,1-6,15-18H2
InChIKeyAQBBDKAQAQZXNS-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-anthracen-9-ylphenyl)-dicyclohexylphosphane?
The IUPAC name of (2-anthracen-9-ylphenyl)-dicyclohexylphosphane (CID 127262691) is (2-anthracen-9-ylphenyl)-dicyclohexylphosphane.
What is the SMILES notation for (2-anthracen-9-ylphenyl)-dicyclohexylphosphane?
The canonical SMILES for (2-anthracen-9-ylphenyl)-dicyclohexylphosphane is c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of (2-anthracen-9-ylphenyl)-dicyclohexylphosphane?
The InChIKey is AQBBDKAQAQZXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35P/c1-3-15-26(16-4-1)33(27-17-5-2-6-18-27)31-22-12-11-21-30(31)32-28-19-9-7-13-24(28)23-25-14-8-10-20-29(25)32/h7-14,19-23,26-27H,1-6,15-18H2.
What are the key properties of (2-anthracen-9-ylphenyl)-dicyclohexylphosphane?
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane has a molecular weight of 450.61 g/mol, XLogP of 9.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anthracen-9-ylphenyl)-dicyclohexylphosphane is sourced from PubChem (CID 127262691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).