3-[(E)-2-cyclohexylethenyl]-1-phenylindole

C22H23N — CID 10891968

IUPAC3-[(E)-2-cyclohexylethenyl]-1-phenylindole
SMILESC(=C/C1CCCCC1)\c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H23N/c1-3-9-18(10-4-1)15-16-19-17-23(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-18H,1,3-4,9-10H2/b16-15+
InChIKeyMVQLIQYIWQYHFJ-FOCLMDBBSA-N
MW301.43 g/mol
LogP6.22
Rot. Bonds3

About 3-[(E)-2-cyclohexylethenyl]-1-phenylindole

3-[(E)-2-cyclohexylethenyl]-1-phenylindole (PubChem CID 10891968) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[(E)-2-cyclohexylethenyl]-1-phenylindole.

Molecular Properties

Compound Name3-[(E)-2-cyclohexylethenyl]-1-phenylindole
PubChem CID10891968
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name3-[(E)-2-cyclohexylethenyl]-1-phenylindole
SMILESC(=C/C1CCCCC1)\c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H23N/c1-3-9-18(10-4-1)15-16-19-17-23(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-18H,1,3-4,9-10H2/b16-15+
InChIKeyMVQLIQYIWQYHFJ-FOCLMDBBSA-N
XLogP6.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclohexylethenyl]-1-phenylindole?
The IUPAC name of 3-[(E)-2-cyclohexylethenyl]-1-phenylindole (CID 10891968) is 3-[(E)-2-cyclohexylethenyl]-1-phenylindole.
What is the SMILES notation for 3-[(E)-2-cyclohexylethenyl]-1-phenylindole?
The canonical SMILES for 3-[(E)-2-cyclohexylethenyl]-1-phenylindole is C(=C/C1CCCCC1)\c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-[(E)-2-cyclohexylethenyl]-1-phenylindole?
The InChIKey is MVQLIQYIWQYHFJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H23N/c1-3-9-18(10-4-1)15-16-19-17-23(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-18H,1,3-4,9-10H2/b16-15+.
What are the key properties of 3-[(E)-2-cyclohexylethenyl]-1-phenylindole?
3-[(E)-2-cyclohexylethenyl]-1-phenylindole has a molecular weight of 301.43 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclohexylethenyl]-1-phenylindole is sourced from PubChem (CID 10891968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).