1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene

C29H27OP — CID 152525738

IUPAC1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene
SMILESCC(C)Cc1ccccc1P(=O)(c1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H27OP/c1-21(2)19-23-12-7-9-17-28(23)31(30,24-13-4-3-5-14-24)29-18-10-16-26-25-15-8-6-11-22(25)20-27(26)29/h3-18,21H,19-20H2,1-2H3
InChIKeyYILYVOBDIHPWFR-UHFFFAOYSA-N
MW422.51 g/mol
LogP6.10
Rot. Bonds5

About 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene

1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene (PubChem CID 152525738) has the molecular formula C29H27OP and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene.

Molecular Properties

Compound Name1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene
PubChem CID152525738
Molecular FormulaC29H27OP
Molecular Weight422.51 g/mol
Exact Mass422.18
IUPAC Name1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene
SMILESCC(C)Cc1ccccc1P(=O)(c1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H27OP/c1-21(2)19-23-12-7-9-17-28(23)31(30,24-13-4-3-5-14-24)29-18-10-16-26-25-15-8-6-11-22(25)20-27(26)29/h3-18,21H,19-20H2,1-2H3
InChIKeyYILYVOBDIHPWFR-UHFFFAOYSA-N
XLogP6.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 56.10
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 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene?
The IUPAC name of 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene (CID 152525738) is 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene.
What is the SMILES notation for 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene?
The canonical SMILES for 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene is CC(C)Cc1ccccc1P(=O)(c1ccccc1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene?
The InChIKey is YILYVOBDIHPWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27OP/c1-21(2)19-23-12-7-9-17-28(23)31(30,24-13-4-3-5-14-24)29-18-10-16-26-25-15-8-6-11-22(25)20-27(26)29/h3-18,21H,19-20H2,1-2H3.
What are the key properties of 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene?
1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene has a molecular weight of 422.51 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylpropyl)phenyl]-phenylphosphoryl]-9H-fluorene is sourced from PubChem (CID 152525738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).