3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole

C25H18Cl2N2 — CID 134163446

IUPAC3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole
SMILESClC(=CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N2/c26-17-11-9-16(10-12-17)23(27)13-20(21-14-28-24-7-3-1-5-18(21)24)22-15-29-25-8-4-2-6-19(22)25/h1-15,20,28-29H
InChIKeyYVVPOCYEXXQCNU-UHFFFAOYSA-N
MW417.34 g/mol
LogP7.71
Rot. Bonds4

About 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole

3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole (PubChem CID 134163446) has the molecular formula C25H18Cl2N2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole.

Molecular Properties

Compound Name3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole
PubChem CID134163446
Molecular FormulaC25H18Cl2N2
Molecular Weight417.34 g/mol
Exact Mass416.08
IUPAC Name3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole
SMILESClC(=CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2N2/c26-17-11-9-16(10-12-17)23(27)13-20(21-14-28-24-7-3-1-5-18(21)24)22-15-29-25-8-4-2-6-19(22)25/h1-15,20,28-29H
InChIKeyYVVPOCYEXXQCNU-UHFFFAOYSA-N
XLogP7.71
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
CID 18807557
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
2-[(4-chlorophenyl)-(1H-indol-3-yl)methylidene]propanedinitrile
CID 154708723
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
CID 11360037
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
3-propan-2-yl-1H-indole
CID 12534824
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
CID 134968815
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole?
The IUPAC name of 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole (CID 134163446) is 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole.
What is the SMILES notation for 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole?
The canonical SMILES for 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole is ClC(=CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole?
The InChIKey is YVVPOCYEXXQCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2/c26-17-11-9-16(10-12-17)23(27)13-20(21-14-28-24-7-3-1-5-18(21)24)22-15-29-25-8-4-2-6-19(22)25/h1-15,20,28-29H.
What are the key properties of 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole?
3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole has a molecular weight of 417.34 g/mol, XLogP of 7.71, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-3-(4-chlorophenyl)-1-(1H-indol-3-yl)prop-2-enyl]-1H-indole is sourced from PubChem (CID 134163446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).