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

C24H18IP — CID 87643972

IUPAC1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane
SMILESIC1=Cc2c(cccc2P(c2ccccc2)C2C=Cc3ccccc32)C1
InChIInChI=1S/C24H18IP/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
InChIKeyQXJWJIQWKOTQJT-UHFFFAOYSA-N
MW464.29 g/mol
LogP6.22
Rot. Bonds3

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

1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane (PubChem CID 87643972) has the molecular formula C24H18IP and a molecular weight of 464.29 g/mol. Its IUPAC name is 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane.

Molecular Properties

Compound Name1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane
PubChem CID87643972
Molecular FormulaC24H18IP
Molecular Weight464.29 g/mol
Exact Mass464.02
IUPAC Name1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane
SMILESIC1=Cc2c(cccc2P(c2ccccc2)C2C=Cc3ccccc32)C1
InChIInChI=1S/C24H18IP/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
InChIKeyQXJWJIQWKOTQJT-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.29
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-1H-inden-4-yl)-(1H-inden-1-yl)-phenylphosphane
CID 87644681
1-(1H-inden-2-ylmethyl)-1H-indene
CID 87862084
(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
1-[2-(1H-inden-2-yl)ethyl]-1H-indene
CID 10912206
(4-bromoinden-4-yl)-(1H-inden-1-yl)-phenylphosphane
CID 87645298
1-methanidyl-1H-indene;zirconium
CID 172710761
CID 10809432
CID 10809432
CID 119077465
CID 119077465
1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane
CID 154932532
1H-inden-4-yl(diphenyl)phosphane
CID 102082099
(1S)-1-phenyl-1H-indene
CID 86309914

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane?
The IUPAC name of 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane (CID 87643972) is 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane.
What is the SMILES notation for 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane?
The canonical SMILES for 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane is IC1=Cc2c(cccc2P(c2ccccc2)C2C=Cc3ccccc32)C1.
What is the InChIKey of 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane?
The InChIKey is QXJWJIQWKOTQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18IP/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 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane?
1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane has a molecular weight of 464.29 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl-(2-iodo-1H-inden-4-yl)-phenylphosphane is sourced from PubChem (CID 87643972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).