[2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane

C31H23OP — CID 141312348

IUPAC[2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane
SMILESc1ccc(P(Oc2ccccc2-c2cccc3c2Cc2ccccc2-3)c2ccccc2)cc1
InChIInChI=1S/C31H23OP/c1-3-13-24(14-4-1)33(25-15-5-2-6-16-25)32-31-21-10-9-18-29(31)28-20-11-19-27-26-17-8-7-12-23(26)22-30(27)28/h1-21H,22H2
InChIKeyZXMHMPKGOWOQEX-UHFFFAOYSA-N
MW442.50 g/mol
LogP7.35
Rot. Bonds5

About [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane

[2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane (PubChem CID 141312348) has the molecular formula C31H23OP and a molecular weight of 442.50 g/mol. Its IUPAC name is [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane.

Molecular Properties

Compound Name[2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane
PubChem CID141312348
Molecular FormulaC31H23OP
Molecular Weight442.50 g/mol
Exact Mass442.15
IUPAC Name[2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane
SMILESc1ccc(P(Oc2ccccc2-c2cccc3c2Cc2ccccc2-3)c2ccccc2)cc1
InChIInChI=1S/C31H23OP/c1-3-13-24(14-4-1)33(25-15-5-2-6-16-25)32-31-21-10-9-18-29(31)28-20-11-19-27-26-17-8-7-12-23(26)22-30(27)28/h1-21H,22H2
InChIKeyZXMHMPKGOWOQEX-UHFFFAOYSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane?
The IUPAC name of [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane (CID 141312348) is [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane.
What is the SMILES notation for [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane?
The canonical SMILES for [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane is c1ccc(P(Oc2ccccc2-c2cccc3c2Cc2ccccc2-3)c2ccccc2)cc1.
What is the InChIKey of [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane?
The InChIKey is ZXMHMPKGOWOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23OP/c1-3-13-24(14-4-1)33(25-15-5-2-6-16-25)32-31-21-10-9-18-29(31)28-20-11-19-27-26-17-8-7-12-23(26)22-30(27)28/h1-21H,22H2.
What are the key properties of [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane?
[2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane has a molecular weight of 442.50 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane is sourced from PubChem (CID 141312348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).