4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine

C39H29N3 — CID 166844371

IUPAC4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine
SMILESC1=CCC(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)cn3)c2)N=C1
InChIInChI=1S/C39H29N3/c1-4-12-28(13-5-1)31-19-20-37(41-27-31)35-23-32(22-34(24-35)36-18-10-11-21-40-36)33-25-38(29-14-6-2-7-15-29)42-39(26-33)30-16-8-3-9-17-30/h1-17,19-27,36H,18H2
InChIKeyWSJYKDXNDMWCAD-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.88
Rot. Bonds6

About 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine

4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine (PubChem CID 166844371) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine
PubChem CID166844371
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine
SMILESC1=CCC(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)cn3)c2)N=C1
InChIInChI=1S/C39H29N3/c1-4-12-28(13-5-1)31-19-20-37(41-27-31)35-23-32(22-34(24-35)36-18-10-11-21-40-36)33-25-38(29-14-6-2-7-15-29)42-39(26-33)30-16-8-3-9-17-30/h1-17,19-27,36H,18H2
InChIKeyWSJYKDXNDMWCAD-UHFFFAOYSA-N
XLogP9.88
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine
CID 139419632
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 130453294
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine
CID 171403413
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine (CID 166844371) is 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine is C1=CCC(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)cn3)c2)N=C1.
What is the InChIKey of 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine?
The InChIKey is WSJYKDXNDMWCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-4-12-28(13-5-1)31-19-20-37(41-27-31)35-23-32(22-34(24-35)36-18-10-11-21-40-36)33-25-38(29-14-6-2-7-15-29)42-39(26-33)30-16-8-3-9-17-30/h1-17,19-27,36H,18H2.
What are the key properties of 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine?
4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine has a molecular weight of 539.68 g/mol, XLogP of 9.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 166844371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).