2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole

C24H23N — CID 122628067

IUPAC2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole
SMILESC(=C/c1[nH]c2c(c1/C=C/c1ccccc1)CCCC2)\c1ccccc1
InChIInChI=1S/C24H23N/c1-3-9-19(10-4-1)15-17-22-21-13-7-8-14-23(21)25-24(22)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,25H,7-8,13-14H2/b17-15+,18-16+
InChIKeyXRNBQZHCCRFHGM-YTEMWHBBSA-N
MW325.46 g/mol
LogP6.23
Rot. Bonds4

About 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole

2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole (PubChem CID 122628067) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole
PubChem CID122628067
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole
SMILESC(=C/c1[nH]c2c(c1/C=C/c1ccccc1)CCCC2)\c1ccccc1
InChIInChI=1S/C24H23N/c1-3-9-19(10-4-1)15-17-22-21-13-7-8-14-23(21)25-24(22)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,25H,7-8,13-14H2/b17-15+,18-16+
InChIKeyXRNBQZHCCRFHGM-YTEMWHBBSA-N
XLogP6.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole (CID 122628067) is 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole is C(=C/c1[nH]c2c(c1/C=C/c1ccccc1)CCCC2)\c1ccccc1.
What is the InChIKey of 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is XRNBQZHCCRFHGM-YTEMWHBBSA-N. The full InChI is InChI=1S/C24H23N/c1-3-9-19(10-4-1)15-17-22-21-13-7-8-14-23(21)25-24(22)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,25H,7-8,13-14H2/b17-15+,18-16+.
What are the key properties of 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole?
2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 325.46 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 122628067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).