(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane

C24H18BrP — CID 87645298

IUPAC(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane
SMILESBrC1(P(c2ccccc2)C2C=Cc3ccccc32)C=CC=C2C=CC=C21
InChIInChI=1S/C24H18BrP/c25-24(17-7-10-19-9-6-14-22(19)24)26(20-11-2-1-3-12-20)23-16-15-18-8-4-5-13-21(18)23/h1-17,23H
InChIKeyOUQWBTIORMCYMS-UHFFFAOYSA-N
MW417.29 g/mol
LogP6.65
Rot. Bonds3

About (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane

(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane (PubChem CID 87645298) has the molecular formula C24H18BrP and a molecular weight of 417.29 g/mol. Its IUPAC name is (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane.

Molecular Properties

Compound Name(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane
PubChem CID87645298
Molecular FormulaC24H18BrP
Molecular Weight417.29 g/mol
Exact Mass416.03
IUPAC Name(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane
SMILESBrC1(P(c2ccccc2)C2C=Cc3ccccc32)C=CC=C2C=CC=C21
InChIInChI=1S/C24H18BrP/c25-24(17-7-10-19-9-6-14-22(19)24)26(20-11-2-1-3-12-20)23-16-15-18-8-4-5-13-21(18)23/h1-17,23H
InChIKeyOUQWBTIORMCYMS-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.29
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1H-inden-1-yloxy(triphenyl)phosphanium
CID 139734736
(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane
CID 87644681
1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane
CID 87643972
1H-inden-1-amine
CID 14298803
1-methanidyl-1H-indene;zirconium
CID 172710761
CID 10809432
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CID 119077465
1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene
CID 91100379
(1S)-1-phenyl-1H-indene
CID 86309914
(5R)-5H-benzo[7]annulen-5-amine
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1H-inden-1-yl(trimethyl)plumbane
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CID 173341259
CID 173341259

Frequently Asked Questions

What is the IUPAC name of (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
The IUPAC name of (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane (CID 87645298) is (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane.
What is the SMILES notation for (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
The canonical SMILES for (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane is BrC1(P(c2ccccc2)C2C=Cc3ccccc32)C=CC=C2C=CC=C21.
What is the InChIKey of (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
The InChIKey is OUQWBTIORMCYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrP/c25-24(17-7-10-19-9-6-14-22(19)24)26(20-11-2-1-3-12-20)23-16-15-18-8-4-5-13-21(18)23/h1-17,23H.
What are the key properties of (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane has a molecular weight of 417.29 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane is sourced from PubChem (CID 87645298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).