4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine

C36H36N2 — CID 118651859

IUPAC4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
SMILESCC(C)Cc1ccnc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(CC(C)C)ccn4)c3)c2)c1
InChIInChI=1S/C36H36N2/c1-25(2)19-27-15-17-37-35(21-27)31-11-7-9-29(23-31)33-13-5-6-14-34(33)30-10-8-12-32(24-30)36-22-28(16-18-38-36)20-26(3)4/h5-18,21-26H,19-20H2,1-4H3
InChIKeySDGWAIGHWQNPMG-UHFFFAOYSA-N
MW496.70 g/mol
LogP9.54
Rot. Bonds8

About 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine

4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 118651859) has the molecular formula C36H36N2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
PubChem CID118651859
Molecular FormulaC36H36N2
Molecular Weight496.70 g/mol
Exact Mass496.29
IUPAC Name4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
SMILESCC(C)Cc1ccnc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(CC(C)C)ccn4)c3)c2)c1
InChIInChI=1S/C36H36N2/c1-25(2)19-27-15-17-37-35(21-27)31-11-7-9-29(23-31)33-13-5-6-14-34(33)30-10-8-12-32(24-30)36-22-28(16-18-38-36)20-26(3)4/h5-18,21-26H,19-20H2,1-4H3
InChIKeySDGWAIGHWQNPMG-UHFFFAOYSA-N
XLogP9.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine (CID 118651859) is 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine is CC(C)Cc1ccnc(-c2cccc(-c3ccccc3-c3cccc(-c4cc(CC(C)C)ccn4)c3)c2)c1.
What is the InChIKey of 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is SDGWAIGHWQNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2/c1-25(2)19-27-15-17-37-35(21-27)31-11-7-9-29(23-31)33-13-5-6-14-34(33)30-10-8-12-32(24-30)36-22-28(16-18-38-36)20-26(3)4/h5-18,21-26H,19-20H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine?
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 496.70 g/mol, XLogP of 9.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 118651859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).