2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone

C28H26N2O — CID 23003762

IUPAC2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
SMILESCN1CC=C(c2c[nH]c3ccc(CC(=O)c4cccc(-c5ccccc5)c4)cc23)CC1
InChIInChI=1S/C28H26N2O/c1-30-14-12-22(13-15-30)26-19-29-27-11-10-20(16-25(26)27)17-28(31)24-9-5-8-23(18-24)21-6-3-2-4-7-21/h2-12,16,18-19,29H,13-15,17H2,1H3
InChIKeyQZRAVRVWQVHPOX-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.98
Rot. Bonds5

About 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone

2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone (PubChem CID 23003762) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
PubChem CID23003762
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
SMILESCN1CC=C(c2c[nH]c3ccc(CC(=O)c4cccc(-c5ccccc5)c4)cc23)CC1
InChIInChI=1S/C28H26N2O/c1-30-14-12-22(13-15-30)26-19-29-27-11-10-20(16-25(26)27)17-28(31)24-9-5-8-23(18-24)21-6-3-2-4-7-21/h2-12,16,18-19,29H,13-15,17H2,1H3
InChIKeyQZRAVRVWQVHPOX-UHFFFAOYSA-N
XLogP5.98
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone with MolForge

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Related Compounds

N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
N'-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;hydrochloride
CID 57398365
but-2-enedioic acid;N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propanamide
CID 70105932
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-phenyl-1H-indole
CID 168941668
but-2-enedioic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole
CID 67712986
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-methylphenyl)ethanone
CID 113086953
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate
CID 15951273
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
CID 84558810

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone?
The IUPAC name of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone (CID 23003762) is 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone.
What is the SMILES notation for 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone?
The canonical SMILES for 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone is CN1CC=C(c2c[nH]c3ccc(CC(=O)c4cccc(-c5ccccc5)c4)cc23)CC1.
What is the InChIKey of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone?
The InChIKey is QZRAVRVWQVHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-30-14-12-22(13-15-30)26-19-29-27-11-10-20(16-25(26)27)17-28(31)24-9-5-8-23(18-24)21-6-3-2-4-7-21/h2-12,16,18-19,29H,13-15,17H2,1H3.
What are the key properties of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone?
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone has a molecular weight of 406.53 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone is sourced from PubChem (CID 23003762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).