3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C39H29N3 — CID 118673055

IUPAC3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESC1=CC(c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)=CNC1
InChIInChI=1S/C39H29N3/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-20,22-27,42H,21H2
InChIKeyIANHQLOMKSYGGP-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.31
Rot. Bonds6

About 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 118673055) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID118673055
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESC1=CC(c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)=CNC1
InChIInChI=1S/C39H29N3/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-20,22-27,42H,21H2
InChIKeyIANHQLOMKSYGGP-UHFFFAOYSA-N
XLogP9.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
CID 144738838
3-[3-[4-[4-[4-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]-5-[4-(3-pyridin-3-ylphenyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]pyridine
CID 144863983
3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(1,2-dihydropyridin-3-yl)-5-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
CID 144787828
4-(1,2-dihydropyridin-5-yl)pyridine
CID 154469275
3-[3-(1,2-dihydropyridin-5-yl)-5-[3-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-pyridin-3-ylphenyl]phenyl]phenyl]pyridine
CID 144799078
3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 155116761
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-azulen-6-ylpyridine
CID 86232079
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 118673055) is 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is C1=CC(c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)=CNC1.
What is the InChIKey of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is IANHQLOMKSYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-20,22-27,42H,21H2.
What are the key properties of 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 539.68 g/mol, XLogP of 9.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 118673055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).