3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole

C25H20N2 — CID 11360037

IUPAC3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
SMILESC(=C/C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)\c1ccccc1
InChIInChI=1S/C25H20N2/c1-2-8-18(9-3-1)14-15-19(22-16-26-24-12-6-4-10-20(22)24)23-17-27-25-13-7-5-11-21(23)25/h1-17,19,26-27H/b15-14+
InChIKeyXQGBZXMCLMLQML-CCEZHUSRSA-N
MW348.45 g/mol
LogP6.49
Rot. Bonds4

About 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole

3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole (PubChem CID 11360037) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
PubChem CID11360037
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole
SMILESC(=C/C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)\c1ccccc1
InChIInChI=1S/C25H20N2/c1-2-8-18(9-3-1)14-15-19(22-16-26-24-12-6-4-10-20(22)24)23-17-27-25-13-7-5-11-21(23)25/h1-17,19,26-27H/b15-14+
InChIKeyXQGBZXMCLMLQML-CCEZHUSRSA-N
XLogP6.49
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
3-[(E,1R)-1,3-diphenylprop-2-enyl]-6-methyl-1H-indole
CID 102428892
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
4-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 177440064
3-propan-2-yl-1H-indole
CID 12534824
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
CID 102097534
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
CID 102035886

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole?
The IUPAC name of 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole (CID 11360037) is 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole.
What is the SMILES notation for 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole?
The canonical SMILES for 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole is C(=C/C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)\c1ccccc1.
What is the InChIKey of 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole?
The InChIKey is XQGBZXMCLMLQML-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H20N2/c1-2-8-18(9-3-1)14-15-19(22-16-26-24-12-6-4-10-20(22)24)23-17-27-25-13-7-5-11-21(23)25/h1-17,19,26-27H/b15-14+.
What are the key properties of 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole?
3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole has a molecular weight of 348.45 g/mol, XLogP of 6.49, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-(1H-indol-3-yl)-3-phenylprop-2-enyl]-1H-indole is sourced from PubChem (CID 11360037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).