3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole

C28H21N3 — CID 139242602

IUPAC3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole
SMILESC(=C/c1ncc(-c2c[nH]c3ccccc23)nc1/C=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H21N3/c1-3-9-21(10-4-1)15-17-26-27(18-16-22-11-5-2-6-12-22)31-28(20-30-26)24-19-29-25-14-8-7-13-23(24)25/h1-20,29H/b17-15+,18-16+
InChIKeyQVBAHOQZEGQLCW-YTEMWHBBSA-N
MW399.50 g/mol
LogP6.97
Rot. Bonds5

About 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole

3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole (PubChem CID 139242602) has the molecular formula C28H21N3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole
PubChem CID139242602
Molecular FormulaC28H21N3
Molecular Weight399.50 g/mol
Exact Mass399.17
IUPAC Name3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole
SMILESC(=C/c1ncc(-c2c[nH]c3ccccc23)nc1/C=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H21N3/c1-3-9-21(10-4-1)15-17-26-27(18-16-22-11-5-2-6-12-22)31-28(20-30-26)24-19-29-25-14-8-7-13-23(24)25/h1-20,29H/b17-15+,18-16+
InChIKeyQVBAHOQZEGQLCW-YTEMWHBBSA-N
XLogP6.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
CID 11747751
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
2-[5-(1H-indol-3-yl)pyrazin-2-yl]ethanamine
CID 82388672
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
methane;3-phenyl-1H-indole
CID 167711687
2-[(E)-2-phenylethenyl]cyclohepta[b]pyrrole-3-carbaldehyde
CID 101450300
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
CID 963414

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole?
The IUPAC name of 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole (CID 139242602) is 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole.
What is the SMILES notation for 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole?
The canonical SMILES for 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole is C(=C/c1ncc(-c2c[nH]c3ccccc23)nc1/C=C/c1ccccc1)\c1ccccc1.
What is the InChIKey of 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole?
The InChIKey is QVBAHOQZEGQLCW-YTEMWHBBSA-N. The full InChI is InChI=1S/C28H21N3/c1-3-9-21(10-4-1)15-17-26-27(18-16-22-11-5-2-6-12-22)31-28(20-30-26)24-19-29-25-14-8-7-13-23(24)25/h1-20,29H/b17-15+,18-16+.
What are the key properties of 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole?
3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole has a molecular weight of 399.50 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole is sourced from PubChem (CID 139242602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).