4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine

C22H25N — CID 90051024

IUPAC4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCc1cnc(C2=CC(c3ccccc3)=CCC2C(C)C)cc1C
InChIInChI=1S/C22H25N/c1-15(2)20-11-10-19(18-8-6-5-7-9-18)13-21(20)22-12-16(3)17(4)14-23-22/h5-10,12-15,20H,11H2,1-4H3
InChIKeyQBCHZRSNMYFDIM-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.84
Rot. Bonds3

About 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine

4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine (PubChem CID 90051024) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine
PubChem CID90051024
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCc1cnc(C2=CC(c3ccccc3)=CCC2C(C)C)cc1C
InChIInChI=1S/C22H25N/c1-15(2)20-11-10-19(18-8-6-5-7-9-18)13-21(20)22-12-16(3)17(4)14-23-22/h5-10,12-15,20H,11H2,1-4H3
InChIKeyQBCHZRSNMYFDIM-UHFFFAOYSA-N
XLogP5.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The IUPAC name of 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine (CID 90051024) is 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The canonical SMILES for 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine is Cc1cnc(C2=CC(c3ccccc3)=CCC2C(C)C)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The InChIKey is QBCHZRSNMYFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-15(2)20-11-10-19(18-8-6-5-7-9-18)13-21(20)22-12-16(3)17(4)14-23-22/h5-10,12-15,20H,11H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine has a molecular weight of 303.45 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-phenyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 90051024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).