(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one

C28H23NO2 — CID 126715488

IUPAC(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H23NO2/c1-31-23-14-12-20(13-15-23)25(26-18-29-27-9-5-4-8-24(26)27)17-28(30)22-11-10-19-6-2-3-7-21(19)16-22/h2-16,18,25,29H,17H2,1H3/t25-/m0/s1
InChIKeyDKCDGRFZWGKZBR-VWLOTQADSA-N
MW405.50 g/mol
LogP6.73
Rot. Bonds6

About (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one

(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one (PubChem CID 126715488) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
PubChem CID126715488
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H23NO2/c1-31-23-14-12-20(13-15-23)25(26-18-29-27-9-5-4-8-24(26)27)17-28(30)22-11-10-19-6-2-3-7-21(19)16-22/h2-16,18,25,29H,17H2,1H3/t25-/m0/s1
InChIKeyDKCDGRFZWGKZBR-VWLOTQADSA-N
XLogP6.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one (CID 126715488) is (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one is COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
The InChIKey is DKCDGRFZWGKZBR-VWLOTQADSA-N. The full InChI is InChI=1S/C28H23NO2/c1-31-23-14-12-20(13-15-23)25(26-18-29-27-9-5-4-8-24(26)27)17-28(30)22-11-10-19-6-2-3-7-21(19)16-22/h2-16,18,25,29H,17H2,1H3/t25-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one?
(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one has a molecular weight of 405.50 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 126715488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).