2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole

C24H31N — CID 122628110

IUPAC2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole
SMILESC(=C/C1CCCCC1)\c1[nH]c2ccccc2c1/C=C/C1CCCCC1
InChIInChI=1S/C24H31N/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/h7-8,13-20,25H,1-6,9-12H2/b17-15+,18-16+
InChIKeyDYRRCRRORQCXEI-YTEMWHBBSA-N
MW333.52 g/mol
LogP7.35
Rot. Bonds4

About 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole

2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole (PubChem CID 122628110) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole.

Molecular Properties

Compound Name2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole
PubChem CID122628110
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole
SMILESC(=C/C1CCCCC1)\c1[nH]c2ccccc2c1/C=C/C1CCCCC1
InChIInChI=1S/C24H31N/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/h7-8,13-20,25H,1-6,9-12H2/b17-15+,18-16+
InChIKeyDYRRCRRORQCXEI-YTEMWHBBSA-N
XLogP7.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole?
The IUPAC name of 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole (CID 122628110) is 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole.
What is the SMILES notation for 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole?
The canonical SMILES for 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole is C(=C/C1CCCCC1)\c1[nH]c2ccccc2c1/C=C/C1CCCCC1.
What is the InChIKey of 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole?
The InChIKey is DYRRCRRORQCXEI-YTEMWHBBSA-N. The full InChI is InChI=1S/C24H31N/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/h7-8,13-20,25H,1-6,9-12H2/b17-15+,18-16+.
What are the key properties of 2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole?
2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole has a molecular weight of 333.52 g/mol, XLogP of 7.35, 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-cyclohexylethenyl]-1H-indole is sourced from PubChem (CID 122628110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).