1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole

C32H29NO — CID 122370320

IUPAC1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole
SMILESc1ccc(Cn2ccc3cc(C[C@@H]4CCC(c5ccccc5)(c5ccccc5)O4)ccc32)cc1
InChIInChI=1S/C32H29NO/c1-4-10-25(11-5-1)24-33-21-19-27-22-26(16-17-31(27)33)23-30-18-20-32(34-30,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-17,19,21-22,30H,18,20,23-24H2/t30-/m0/s1
InChIKeyKOUVDQZAUBTRFP-PMERELPUSA-N
MW443.59 g/mol
LogP7.35
Rot. Bonds6

About 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole

1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole (PubChem CID 122370320) has the molecular formula C32H29NO and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole.

Molecular Properties

Compound Name1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole
PubChem CID122370320
Molecular FormulaC32H29NO
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole
SMILESc1ccc(Cn2ccc3cc(C[C@@H]4CCC(c5ccccc5)(c5ccccc5)O4)ccc32)cc1
InChIInChI=1S/C32H29NO/c1-4-10-25(11-5-1)24-33-21-19-27-22-26(16-17-31(27)33)23-30-18-20-32(34-30,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-17,19,21-22,30H,18,20,23-24H2/t30-/m0/s1
InChIKeyKOUVDQZAUBTRFP-PMERELPUSA-N
XLogP7.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylindol-5-yl)ethanethiol
CID 143923933
2-(1-benzylindol-5-yl)acetic acid
CID 71441824
(1-benzylindol-5-yl)boronic acid
CID 134128465
5-ethyl-2,2-diphenyloxolane
CID 102273075
1-benzyl-5-ethenylindole
CID 71373149
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
CID 102901200
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine
CID 142726467
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole
CID 175357522
[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
CID 163765370
(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide
CID 58460273

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole?
The IUPAC name of 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole (CID 122370320) is 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole.
What is the SMILES notation for 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole?
The canonical SMILES for 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole is c1ccc(Cn2ccc3cc(C[C@@H]4CCC(c5ccccc5)(c5ccccc5)O4)ccc32)cc1.
What is the InChIKey of 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole?
The InChIKey is KOUVDQZAUBTRFP-PMERELPUSA-N. The full InChI is InChI=1S/C32H29NO/c1-4-10-25(11-5-1)24-33-21-19-27-22-26(16-17-31(27)33)23-30-18-20-32(34-30,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-17,19,21-22,30H,18,20,23-24H2/t30-/m0/s1.
What are the key properties of 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole?
1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole has a molecular weight of 443.59 g/mol, XLogP of 7.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[(2S)-5,5-diphenyloxolan-2-yl]methyl]indole is sourced from PubChem (CID 122370320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).