3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile

C23H17N3 — CID 70215454

IUPAC3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile
SMILESC=C1C(c2cccc(C#N)c2)=NC2=C1CCC(c1cccc(C#N)c1)C2
InChIInChI=1S/C23H17N3/c1-15-21-9-8-19(18-6-2-4-16(10-18)13-24)12-22(21)26-23(15)20-7-3-5-17(11-20)14-25/h2-7,10-11,19H,1,8-9,12H2
InChIKeyBVSPLFUJCWVVLI-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.01
Rot. Bonds2

About 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile

3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile (PubChem CID 70215454) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile
PubChem CID70215454
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile
SMILESC=C1C(c2cccc(C#N)c2)=NC2=C1CCC(c1cccc(C#N)c1)C2
InChIInChI=1S/C23H17N3/c1-15-21-9-8-19(18-6-2-4-16(10-18)13-24)12-22(21)26-23(15)20-7-3-5-17(11-20)14-25/h2-7,10-11,19H,1,8-9,12H2
InChIKeyBVSPLFUJCWVVLI-UHFFFAOYSA-N
XLogP5.01
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile?
The IUPAC name of 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile (CID 70215454) is 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile.
What is the SMILES notation for 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile?
The canonical SMILES for 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile is C=C1C(c2cccc(C#N)c2)=NC2=C1CCC(c1cccc(C#N)c1)C2.
What is the InChIKey of 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile?
The InChIKey is BVSPLFUJCWVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-15-21-9-8-19(18-6-2-4-16(10-18)13-24)12-22(21)26-23(15)20-7-3-5-17(11-20)14-25/h2-7,10-11,19H,1,8-9,12H2.
What are the key properties of 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile?
3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile has a molecular weight of 335.41 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyanophenyl)-3-methylidene-4,5,6,7-tetrahydroindol-6-yl]benzonitrile is sourced from PubChem (CID 70215454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).