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

C39H29N3 — CID 134483889

IUPAC3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESC1=NC=C(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)CC1
InChIInChI=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
InChIKeyNVCVMPHLYLTWNM-UHFFFAOYSA-N
MW539.68 g/mol
LogP10.02
Rot. Bonds6

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 Name3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID134483889
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name3-[3-[3-[3-(3,4-dihydropyridin-5-yl)phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESC1=NC=C(c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)CC1
InChIInChI=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
InChIKeyNVCVMPHLYLTWNM-UHFFFAOYSA-N
XLogP10.02
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 ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).