3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine

C38H29N5 — CID 163599445

IUPAC3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCC1(c2ccccn2)C=C(c2ccccn2)C=C(c2cncc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)C1
InChIInChI=1S/C38H29N5/c1-38(37-13-5-9-17-43-37)23-30(21-31(24-38)36-12-4-8-16-42-36)33-22-32(25-39-26-33)27-18-28(34-10-2-6-14-40-34)20-29(19-27)35-11-3-7-15-41-35/h2-22,24-26H,23H2,1H3
InChIKeyGWIAVISXYNKAAQ-UHFFFAOYSA-N
MW555.69 g/mol
LogP8.49
Rot. Bonds6

About 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine

3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine (PubChem CID 163599445) has the molecular formula C38H29N5 and a molecular weight of 555.69 g/mol. Its IUPAC name is 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine
PubChem CID163599445
Molecular FormulaC38H29N5
Molecular Weight555.69 g/mol
Exact Mass555.24
IUPAC Name3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCC1(c2ccccn2)C=C(c2ccccn2)C=C(c2cncc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)C1
InChIInChI=1S/C38H29N5/c1-38(37-13-5-9-17-43-37)23-30(21-31(24-38)36-12-4-8-16-42-36)33-22-32(25-39-26-33)27-18-28(34-10-2-6-14-40-34)20-29(19-27)35-11-3-7-15-41-35/h2-22,24-26H,23H2,1H3
InChIKeyGWIAVISXYNKAAQ-UHFFFAOYSA-N
XLogP8.49
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.69
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
3-phenyl-5-(6-pyridin-2-yl-3-pyridinyl)pyridine
CID 59724442
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
CID 170063372
3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine
CID 88554410
bis(2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine);3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;4-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 167601942
2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine
CID 140595202
3-prop-2-enyl-5-pyridin-2-ylpyridine
CID 91804933

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The IUPAC name of 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine (CID 163599445) is 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The canonical SMILES for 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine is CC1(c2ccccn2)C=C(c2ccccn2)C=C(c2cncc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)C1.
What is the InChIKey of 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
The InChIKey is GWIAVISXYNKAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N5/c1-38(37-13-5-9-17-43-37)23-30(21-31(24-38)36-12-4-8-16-42-36)33-22-32(25-39-26-33)27-18-28(34-10-2-6-14-40-34)20-29(19-27)35-11-3-7-15-41-35/h2-22,24-26H,23H2,1H3.
What are the key properties of 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine?
3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine has a molecular weight of 555.69 g/mol, XLogP of 8.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 163599445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).