2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine

C33H32N4 — CID 71277472

IUPAC2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(CC(CCc3ccccc3)Cc3cccc(-c4cccc(C)n4)n3)n2)n1
InChIInChI=1S/C33H32N4/c1-24-10-6-16-30(34-24)32-18-8-14-28(36-32)22-27(21-20-26-12-4-3-5-13-26)23-29-15-9-19-33(37-29)31-17-7-11-25(2)35-31/h3-19,27H,20-23H2,1-2H3
InChIKeyBRVLJJZMCNXFBU-UHFFFAOYSA-N
MW484.65 g/mol
LogP7.25
Rot. Bonds9

About 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine

2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine (PubChem CID 71277472) has the molecular formula C33H32N4 and a molecular weight of 484.65 g/mol. Its IUPAC name is 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine
PubChem CID71277472
Molecular FormulaC33H32N4
Molecular Weight484.65 g/mol
Exact Mass484.26
IUPAC Name2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(CC(CCc3ccccc3)Cc3cccc(-c4cccc(C)n4)n3)n2)n1
InChIInChI=1S/C33H32N4/c1-24-10-6-16-30(34-24)32-18-8-14-28(36-32)22-27(21-20-26-12-4-3-5-13-26)23-29-15-9-19-33(37-29)31-17-7-11-25(2)35-31/h3-19,27H,20-23H2,1-2H3
InChIKeyBRVLJJZMCNXFBU-UHFFFAOYSA-N
XLogP7.25
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

2,2'-Biquinoline
CID 8412
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2'-Bi-4-lepidine
CID 2827924
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
4-(4-Methylphenyl)-2-(6-(2-pyridyl)(2-pyridyl))pyridine
CID 20787103
Pyridoclax
CID 92042827
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
4,4',6,6'-Tetramethyl-2,2'-bipyridine
CID 14148609
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
2,4,6-Tri(pyridin-4-yl)pyridine
CID 46317148
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis((2-pyridinyl)phenyl)iridium(III) Hexafluorophosphate
CID 60146995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine (CID 71277472) is 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine is Cc1cccc(-c2cccc(CC(CCc3ccccc3)Cc3cccc(-c4cccc(C)n4)n3)n2)n1.
What is the InChIKey of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine?
The InChIKey is BRVLJJZMCNXFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4/c1-24-10-6-16-30(34-24)32-18-8-14-28(36-32)22-27(21-20-26-12-4-3-5-13-26)23-29-15-9-19-33(37-29)31-17-7-11-25(2)35-31/h3-19,27H,20-23H2,1-2H3.
What are the key properties of 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine?
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine has a molecular weight of 484.65 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 71277472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).