2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione

C24H17NO2 — CID 129384522

IUPAC2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17NO2/c26-23-17-11-4-5-12-18(17)24(27)22(23)21(15-8-2-1-3-9-15)19-14-25-20-13-7-6-10-16(19)20/h1-14,21-22,25H/t21-/m0/s1
InChIKeyIKTFEADDZGDEOS-NRFANRHFSA-N
MW351.41 g/mol
LogP5.00
Rot. Bonds3

About 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione

2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione (PubChem CID 129384522) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
PubChem CID129384522
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC Name2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H17NO2/c26-23-17-11-4-5-12-18(17)24(27)22(23)21(15-8-2-1-3-9-15)19-14-25-20-13-7-6-10-16(19)20/h1-14,21-22,25H/t21-/m0/s1
InChIKeyIKTFEADDZGDEOS-NRFANRHFSA-N
XLogP5.00
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
CID 102496981
5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 25098653
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857
3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
CID 102035886
2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione
CID 4065719
5-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126115706
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
1-[2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2,5-dione
CID 13202935
3-(2-nitro-1-phenylethyl)-1H-indole
CID 2740778

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione?
The IUPAC name of 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione (CID 129384522) is 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione.
What is the SMILES notation for 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione?
The canonical SMILES for 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione is O=C1c2ccccc2C(=O)C1[C@@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione?
The InChIKey is IKTFEADDZGDEOS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H17NO2/c26-23-17-11-4-5-12-18(17)24(27)22(23)21(15-8-2-1-3-9-15)19-14-25-20-13-7-6-10-16(19)20/h1-14,21-22,25H/t21-/m0/s1.
What are the key properties of 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione?
2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione has a molecular weight of 351.41 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione is sourced from PubChem (CID 129384522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).