4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene

C33H25N3 — CID 157476808

IUPAC4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene
SMILESCc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H12.C16H13N3/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14/h2-10H,1H3;2-11H,1H3
InChIKeyBVRNIIOUPBUMAX-UHFFFAOYSA-N
MW463.58 g/mol
LogP8.41
Rot. Bonds2

About 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene

4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene (PubChem CID 157476808) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene.

Molecular Properties

Compound Name4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene
PubChem CID157476808
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene
SMILESCc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H12.C16H13N3/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14/h2-10H,1H3;2-11H,1H3
InChIKeyBVRNIIOUPBUMAX-UHFFFAOYSA-N
XLogP8.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
CID 102129587
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene?
The IUPAC name of 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene (CID 157476808) is 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene.
What is the SMILES notation for 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene?
The canonical SMILES for 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene is Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene?
The InChIKey is BVRNIIOUPBUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12.C16H13N3/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14/h2-10H,1H3;2-11H,1H3.
What are the key properties of 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene?
4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene has a molecular weight of 463.58 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-dipyridin-2-ylpyridine;1-methylpyrene is sourced from PubChem (CID 157476808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).