1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone

C29H25OP — CID 134877062

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C29H25OP/c30-29(25-20-23-12-10-11-13-24(23)21-25)22-31(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-19,22,25H,20-21H2
InChIKeyFPNANRGTQMPHNT-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.77
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone

1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone (PubChem CID 134877062) has the molecular formula C29H25OP and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone
PubChem CID134877062
Molecular FormulaC29H25OP
Molecular Weight420.49 g/mol
Exact Mass420.16
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C29H25OP/c30-29(25-20-23-12-10-11-13-24(23)21-25)22-31(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-19,22,25H,20-21H2
InChIKeyFPNANRGTQMPHNT-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
CID 174033948
CID 174033948
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluorocyclopentyl)prop-2-en-1-one
CID 143807238
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
(E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoic acid
CID 107853805
2,3,4,5-tetrahydro-1H-2-benzazepine-4-carboxylic acid;hydrobromide
CID 156758919
6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one
CID 11349379
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)prop-2-en-1-one
CID 116549750
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
CID 65409141

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone (CID 134877062) is 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone is O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
The InChIKey is FPNANRGTQMPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25OP/c30-29(25-20-23-12-10-11-13-24(23)21-25)22-31(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-19,22,25H,20-21H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone?
1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone has a molecular weight of 420.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-2-(triphenyl-λ5-phosphanylidene)ethanone is sourced from PubChem (CID 134877062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).