2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine

C26H23N — CID 138481846

IUPAC2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
SMILESCC1(C)C=CC=C(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C26H23N/c1-26(2)16-9-14-22(15-17-26)25-19-23(20-10-5-3-6-11-20)18-24(27-25)21-12-7-4-8-13-21/h3-19H,1-2H3
InChIKeyNCGPLAKVZQJRFJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.95
Rot. Bonds3

About 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine

2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine (PubChem CID 138481846) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
PubChem CID138481846
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
SMILESCC1(C)C=CC=C(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C26H23N/c1-26(2)16-9-14-22(15-17-26)25-19-23(20-10-5-3-6-11-20)18-24(27-25)21-12-7-4-8-13-21/h3-19H,1-2H3
InChIKeyNCGPLAKVZQJRFJ-UHFFFAOYSA-N
XLogP6.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine?
The IUPAC name of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine (CID 138481846) is 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine.
What is the SMILES notation for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine?
The canonical SMILES for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine is CC1(C)C=CC=C(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)C=C1.
What is the InChIKey of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine?
The InChIKey is NCGPLAKVZQJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-26(2)16-9-14-22(15-17-26)25-19-23(20-10-5-3-6-11-20)18-24(27-25)21-12-7-4-8-13-21/h3-19H,1-2H3.
What are the key properties of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine?
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine has a molecular weight of 349.48 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine is sourced from PubChem (CID 138481846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).