2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine

C38H28N4 — CID 130312460

IUPAC2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
SMILESC1=CNC(c2ccc(-c3cccc(-c4ccccc4-c4cccc(-c5ccc(-c6ccccn6)nc5)c4)c3)cn2)C=C1
InChIInChI=1S/C38H28N4/c1-2-14-34(30-12-8-10-28(24-30)32-18-20-38(42-26-32)36-16-4-6-22-40-36)33(13-1)29-11-7-9-27(23-29)31-17-19-37(41-25-31)35-15-3-5-21-39-35/h1-26,35,39H
InChIKeyPNGLDVQIUWVEMR-UHFFFAOYSA-N
MW540.67 g/mol
LogP8.92
Rot. Bonds6

About 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine

2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 130312460) has the molecular formula C38H28N4 and a molecular weight of 540.67 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
PubChem CID130312460
Molecular FormulaC38H28N4
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC Name2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
SMILESC1=CNC(c2ccc(-c3cccc(-c4ccccc4-c4cccc(-c5ccc(-c6ccccn6)nc5)c4)c3)cn2)C=C1
InChIInChI=1S/C38H28N4/c1-2-14-34(30-12-8-10-28(24-30)32-18-20-38(42-26-32)36-16-4-6-22-40-36)33(13-1)29-11-7-9-27(23-29)31-17-19-37(41-25-31)35-15-3-5-21-39-35/h1-26,35,39H
InChIKeyPNGLDVQIUWVEMR-UHFFFAOYSA-N
XLogP8.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[6-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-6-(4-methylphenyl)-4-phenylquinazoline
CID 118552716
2-[(2R)-2-amino-2-[3-[6-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1-phenylethyl]-5-phenylaniline
CID 118552254
2-[7-[5-(1,2-dihydropyridin-2-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
CID 130312566
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
3-phenyl-5-(6-pyridin-2-yl-3-pyridinyl)pyridine
CID 59724442
2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine
CID 130312575
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240
N-methylaniline;N-methyl-3-(6-pyridin-2-yl-3-pyridinyl)aniline
CID 143267232
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 159312458

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine (CID 130312460) is 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine is C1=CNC(c2ccc(-c3cccc(-c4ccccc4-c4cccc(-c5ccc(-c6ccccn6)nc5)c4)c3)cn2)C=C1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is PNGLDVQIUWVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4/c1-2-14-34(30-12-8-10-28(24-30)32-18-20-38(42-26-32)36-16-4-6-22-40-36)33(13-1)29-11-7-9-27(23-29)31-17-19-37(41-25-31)35-15-3-5-21-39-35/h1-26,35,39H.
What are the key properties of 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 540.67 g/mol, XLogP of 8.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-yl)-5-[3-[2-[3-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 130312460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).