3H-inden-1-ylmethyl(diphenyl)phosphane

C22H19P — CID 102218742

IUPAC3H-inden-1-ylmethyl(diphenyl)phosphane
SMILESC1=C(CP(c2ccccc2)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C22H19P/c1-3-10-20(11-4-1)23(21-12-5-2-6-13-21)17-19-16-15-18-9-7-8-14-22(18)19/h1-14,16H,15,17H2
InChIKeyAGJUWQDWTLQCLF-UHFFFAOYSA-N
MW314.37 g/mol
LogP4.76
Rot. Bonds4

About 3H-inden-1-ylmethyl(diphenyl)phosphane

3H-inden-1-ylmethyl(diphenyl)phosphane (PubChem CID 102218742) has the molecular formula C22H19P and a molecular weight of 314.37 g/mol. Its IUPAC name is 3H-inden-1-ylmethyl(diphenyl)phosphane.

Molecular Properties

Compound Name3H-inden-1-ylmethyl(diphenyl)phosphane
PubChem CID102218742
Molecular FormulaC22H19P
Molecular Weight314.37 g/mol
Exact Mass314.12
IUPAC Name3H-inden-1-ylmethyl(diphenyl)phosphane
SMILESC1=C(CP(c2ccccc2)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C22H19P/c1-3-10-20(11-4-1)23(21-12-5-2-6-13-21)17-19-16-15-18-9-7-8-14-22(18)19/h1-14,16H,15,17H2
InChIKeyAGJUWQDWTLQCLF-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.76
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 3H-inden-1-ylmethyl(diphenyl)phosphane?
The IUPAC name of 3H-inden-1-ylmethyl(diphenyl)phosphane (CID 102218742) is 3H-inden-1-ylmethyl(diphenyl)phosphane.
What is the SMILES notation for 3H-inden-1-ylmethyl(diphenyl)phosphane?
The canonical SMILES for 3H-inden-1-ylmethyl(diphenyl)phosphane is C1=C(CP(c2ccccc2)c2ccccc2)c2ccccc2C1.
What is the InChIKey of 3H-inden-1-ylmethyl(diphenyl)phosphane?
The InChIKey is AGJUWQDWTLQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19P/c1-3-10-20(11-4-1)23(21-12-5-2-6-13-21)17-19-16-15-18-9-7-8-14-22(18)19/h1-14,16H,15,17H2.
What are the key properties of 3H-inden-1-ylmethyl(diphenyl)phosphane?
3H-inden-1-ylmethyl(diphenyl)phosphane has a molecular weight of 314.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-inden-1-ylmethyl(diphenyl)phosphane is sourced from PubChem (CID 102218742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).