3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine

C24H35N — CID 155075230

IUPAC3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine
SMILESCc1cnc(-c2ccc(CCCCCCCC(C)C)cc2)c(C)c1C
InChIInChI=1S/C24H35N/c1-18(2)11-9-7-6-8-10-12-22-13-15-23(16-14-22)24-21(5)20(4)19(3)17-25-24/h13-18H,6-12H2,1-5H3
InChIKeyCMBNAVCYVYCFLF-UHFFFAOYSA-N
MW337.55 g/mol
LogP7.21
Rot. Bonds9

About 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine

3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine (PubChem CID 155075230) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine.

Molecular Properties

Compound Name3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine
PubChem CID155075230
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC Name3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine
SMILESCc1cnc(-c2ccc(CCCCCCCC(C)C)cc2)c(C)c1C
InChIInChI=1S/C24H35N/c1-18(2)11-9-7-6-8-10-12-22-13-15-23(16-14-22)24-21(5)20(4)19(3)17-25-24/h13-18H,6-12H2,1-5H3
InChIKeyCMBNAVCYVYCFLF-UHFFFAOYSA-N
XLogP7.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine?
The IUPAC name of 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine (CID 155075230) is 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine.
What is the SMILES notation for 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine?
The canonical SMILES for 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine is Cc1cnc(-c2ccc(CCCCCCCC(C)C)cc2)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine?
The InChIKey is CMBNAVCYVYCFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N/c1-18(2)11-9-7-6-8-10-12-22-13-15-23(16-14-22)24-21(5)20(4)19(3)17-25-24/h13-18H,6-12H2,1-5H3.
What are the key properties of 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine?
3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine has a molecular weight of 337.55 g/mol, XLogP of 7.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2-[4-(8-methylnonyl)phenyl]pyridine is sourced from PubChem (CID 155075230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).