3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole

C29H27ClN2 — CID 72596380

IUPAC3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole
SMILESClc1cccc(C=CC2=CCN(CCc3c(-c4ccccc4)[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C29H27ClN2/c30-25-10-6-7-23(21-25)14-13-22-15-18-32(19-16-22)20-17-27-26-11-4-5-12-28(26)31-29(27)24-8-2-1-3-9-24/h1-15,21,31H,16-20H2
InChIKeyJFJOBMUYUPKLAB-UHFFFAOYSA-N
MW439.00 g/mol
LogP7.38
Rot. Bonds6

About 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole

3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole (PubChem CID 72596380) has the molecular formula C29H27ClN2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole
PubChem CID72596380
Molecular FormulaC29H27ClN2
Molecular Weight439.00 g/mol
Exact Mass438.19
IUPAC Name3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole
SMILESClc1cccc(C=CC2=CCN(CCc3c(-c4ccccc4)[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C29H27ClN2/c30-25-10-6-7-23(21-25)14-13-22-15-18-32(19-16-22)20-17-27-26-11-4-5-12-28(26)31-29(27)24-8-2-1-3-9-24/h1-15,21,31H,16-20H2
InChIKeyJFJOBMUYUPKLAB-UHFFFAOYSA-N
XLogP7.38
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole with MolForge

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Related Compounds

2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 59920997
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
CID 59921053
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 59920990
(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine
CID 59920970
5-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 67615201
6-hydroxy-1-[2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-2-one
CID 15425455
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
CID 54335100

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole (CID 72596380) is 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole is Clc1cccc(C=CC2=CCN(CCc3c(-c4ccccc4)[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole?
The InChIKey is JFJOBMUYUPKLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2/c30-25-10-6-7-23(21-25)14-13-22-15-18-32(19-16-22)20-17-27-26-11-4-5-12-28(26)31-29(27)24-8-2-1-3-9-24/h1-15,21,31H,16-20H2.
What are the key properties of 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole?
3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole has a molecular weight of 439.00 g/mol, XLogP of 7.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 72596380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).