(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane

C24H18ClP — CID 87644681

IUPAC(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane
SMILESClC1=Cc2c(cccc2P(c2ccccc2)C2C=Cc3ccccc32)C1
InChIInChI=1S/C24H18ClP/c25-19-15-18-8-6-12-23(22(18)16-19)26(20-9-2-1-3-10-20)24-14-13-17-7-4-5-11-21(17)24/h1-14,16,24H,15H2
InChIKeyIVMLRHAFIHTGRP-UHFFFAOYSA-N
MW372.84 g/mol
LogP6.02
Rot. Bonds3

About (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane

(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane (PubChem CID 87644681) has the molecular formula C24H18ClP and a molecular weight of 372.84 g/mol. Its IUPAC name is (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane.

Molecular Properties

Compound Name(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane
PubChem CID87644681
Molecular FormulaC24H18ClP
Molecular Weight372.84 g/mol
Exact Mass372.08
IUPAC Name(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane
SMILESClC1=Cc2c(cccc2P(c2ccccc2)C2C=Cc3ccccc32)C1
InChIInChI=1S/C24H18ClP/c25-19-15-18-8-6-12-23(22(18)16-19)26(20-9-2-1-3-10-20)24-14-13-17-7-4-5-11-21(17)24/h1-14,16,24H,15H2
InChIKeyIVMLRHAFIHTGRP-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.84
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane
CID 87643972
(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 87145521
diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane
CID 10177686
(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane
CID 87645298
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CID 87862084
1-methanidyl-1H-indene;zirconium
CID 172710761
CID 10809432
CID 10809432
CID 119077465
CID 119077465
dichloro-[2-(1H-inden-1-yl)ethyl]silane
CID 137328288
1-[2-(1H-inden-2-yl)ethyl]-1H-indene
CID 10912206
1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane
CID 154932532
1H-inden-4-yl(diphenyl)phosphane
CID 102082099

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
The IUPAC name of (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane (CID 87644681) is (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane.
What is the SMILES notation for (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
The canonical SMILES for (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane is ClC1=Cc2c(cccc2P(c2ccccc2)C2C=Cc3ccccc32)C1.
What is the InChIKey of (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
The InChIKey is IVMLRHAFIHTGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClP/c25-19-15-18-8-6-12-23(22(18)16-19)26(20-9-2-1-3-10-20)24-14-13-17-7-4-5-11-21(17)24/h1-14,16,24H,15H2.
What are the key properties of (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane?
(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane has a molecular weight of 372.84 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane is sourced from PubChem (CID 87644681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).