3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C39H29N3 — CID 134483889

About 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 134483889) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
• PubChem CID: 134483889
• Molecular Formula: C39H29N3
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.24
• IUPAC Name: 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
• SMILES: C1=NC=C(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)CC1
• InChI: InChI=1S/C39H29N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-5,7-14,16-27H,6,15H2
• InChIKey: NVCVMPHLYLTWNM-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 38.14 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The IUPAC name of 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 134483889) is 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

What is the SMILES notation for 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The canonical SMILES for 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is C1=NC=C(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)CC1.

What is the InChIKey of 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The InChIKey is NVCVMPHLYLTWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36/h1-5,7-14,16-27H,6,15H2.

What are the key properties of 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 539.68 g/mol, XLogP of 10.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 134483889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).