1-(2,2-diphenylethenyl)indole

C22H17N — CID 163215662

IUPAC1-(2,2-diphenylethenyl)indole
SMILESC(=C(c1ccccc1)c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C22H17N/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)17-23-16-15-20-13-7-8-14-22(20)23/h1-17H
InChIKeyOOHXQJPIGRMIRK-UHFFFAOYSA-N
MW295.39 g/mol
LogP5.69
Rot. Bonds3

About 1-(2,2-diphenylethenyl)indole

1-(2,2-diphenylethenyl)indole (PubChem CID 163215662) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(2,2-diphenylethenyl)indole.

Molecular Properties

Compound Name1-(2,2-diphenylethenyl)indole
PubChem CID163215662
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name1-(2,2-diphenylethenyl)indole
SMILESC(=C(c1ccccc1)c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C22H17N/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)17-23-16-15-20-13-7-8-14-22(20)23/h1-17H
InChIKeyOOHXQJPIGRMIRK-UHFFFAOYSA-N
XLogP5.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenyl)indole?
The IUPAC name of 1-(2,2-diphenylethenyl)indole (CID 163215662) is 1-(2,2-diphenylethenyl)indole.
What is the SMILES notation for 1-(2,2-diphenylethenyl)indole?
The canonical SMILES for 1-(2,2-diphenylethenyl)indole is C(=C(c1ccccc1)c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of 1-(2,2-diphenylethenyl)indole?
The InChIKey is OOHXQJPIGRMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)17-23-16-15-20-13-7-8-14-22(20)23/h1-17H.
What are the key properties of 1-(2,2-diphenylethenyl)indole?
1-(2,2-diphenylethenyl)indole has a molecular weight of 295.39 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenyl)indole is sourced from PubChem (CID 163215662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).