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

C39H31N3 — CID 139419632

IUPAC4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine
SMILESC1=CCC(c2cc(C3=NCC(c4ccccc4)C=C3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c2)N=C1
InChIInChI=1S/C39H31N3/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/h1-17,19-26,31,36H,18,27H2
InChIKeyNZMQIQRUEBVNGH-UHFFFAOYSA-N
MW541.70 g/mol
LogP9.30
Rot. Bonds6

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

4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine (PubChem CID 139419632) has the molecular formula C39H31N3 and a molecular weight of 541.70 g/mol. Its IUPAC name is 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine
PubChem CID139419632
Molecular FormulaC39H31N3
Molecular Weight541.70 g/mol
Exact Mass541.25
IUPAC Name4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine
SMILESC1=CCC(c2cc(C3=NCC(c4ccccc4)C=C3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c2)N=C1
InChIInChI=1S/C39H31N3/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/h1-17,19-26,31,36H,18,27H2
InChIKeyNZMQIQRUEBVNGH-UHFFFAOYSA-N
XLogP9.30
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine with MolForge

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Related Compounds

4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine
CID 166844371
2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 130453294
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
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-(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
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
CID 58693115
4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine
CID 166842304

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine (CID 139419632) is 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine is C1=CCC(c2cc(C3=NCC(c4ccccc4)C=C3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c2)N=C1.
What is the InChIKey of 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine?
The InChIKey is NZMQIQRUEBVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3/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/h1-17,19-26,31,36H,18,27H2.
What are the key properties of 4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine?
4-[3-(2,3-dihydropyridin-2-yl)-5-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine has a molecular weight of 541.70 g/mol, XLogP of 9.30, 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-(3-phenyl-2,3-dihydropyridin-6-yl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 139419632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).