2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone

C29H25NO2 — CID 174849042

IUPAC2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C29H25NO2/c31-29(28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)30-20-19-25-26(30)17-10-18-27(25)32-21-22-11-4-1-5-12-22/h1-18,28H,19-21H2
InChIKeyAAGKHVZWVBTYLV-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.99
Rot. Bonds6

About 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone

2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 174849042) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID174849042
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C29H25NO2/c31-29(28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)30-20-19-25-26(30)17-10-18-27(25)32-21-22-11-4-1-5-12-22/h1-18,28H,19-21H2
InChIKeyAAGKHVZWVBTYLV-UHFFFAOYSA-N
XLogP5.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone
CID 4946404
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 86881492
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
CID 170624508
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
1-(4-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 136527235
2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 22402458
2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
CID 2152225
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
CID 121202435

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone (CID 174849042) is 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCc2c(OCc3ccccc3)cccc21.
What is the InChIKey of 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is AAGKHVZWVBTYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c31-29(28(23-13-6-2-7-14-23)24-15-8-3-9-16-24)30-20-19-25-26(30)17-10-18-27(25)32-21-22-11-4-1-5-12-22/h1-18,28H,19-21H2.
What are the key properties of 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone?
2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 419.52 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 174849042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).