3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one

C27H20Cl3N3O — CID 157118396

IUPAC3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one
SMILESO=C(Cc1ccncc1)Cc1c(Cl)cc(Cl)cc1Cl.c1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C14H10Cl3NO.C13H10N2/c15-10-6-13(16)12(14(17)7-10)8-11(19)5-9-1-3-18-4-2-9;1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,6-7H,5,8H2;1-9,15H
InChIKeyAHRCCCYRAQREHQ-UHFFFAOYSA-N
MW508.84 g/mol
LogP7.63
Rot. Bonds5

About 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one

3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one (PubChem CID 157118396) has the molecular formula C27H20Cl3N3O and a molecular weight of 508.84 g/mol. Its IUPAC name is 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one
PubChem CID157118396
Molecular FormulaC27H20Cl3N3O
Molecular Weight508.84 g/mol
Exact Mass507.07
IUPAC Name3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one
SMILESO=C(Cc1ccncc1)Cc1c(Cl)cc(Cl)cc1Cl.c1ccc2c(-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C14H10Cl3NO.C13H10N2/c15-10-6-13(16)12(14(17)7-10)8-11(19)5-9-1-3-18-4-2-9;1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,6-7H,5,8H2;1-9,15H
InChIKeyAHRCCCYRAQREHQ-UHFFFAOYSA-N
XLogP7.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.84
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-4-yl-1H-indole
CID 159430533
1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one
CID 58170694
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
5,7-dichloro-3-(1H-indol-3-yl)-1H-indole
CID 10518361
methane;3-phenyl-1H-indole
CID 167711687
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 86048852
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 113208231
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one?
The IUPAC name of 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one (CID 157118396) is 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one.
What is the SMILES notation for 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one?
The canonical SMILES for 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one is O=C(Cc1ccncc1)Cc1c(Cl)cc(Cl)cc1Cl.c1ccc2c(-c3ccncc3)c[nH]c2c1.
What is the InChIKey of 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one?
The InChIKey is AHRCCCYRAQREHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO.C13H10N2/c15-10-6-13(16)12(14(17)7-10)8-11(19)5-9-1-3-18-4-2-9;1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,6-7H,5,8H2;1-9,15H.
What are the key properties of 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one?
3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one has a molecular weight of 508.84 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1H-indole;1-pyridin-4-yl-3-(2,4,6-trichlorophenyl)propan-2-one is sourced from PubChem (CID 157118396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).