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

C53H38N6 — CID 144863983

IUPAC3-[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
SMILESC1=CC(c2cccc(-c3ccc(-n4c(-c5ccc(-c6cccc(-c7cccnc7)c6)cc5)nnc4-c4ccc(-c5cccc(-c6cccnc6)c5)cc4)cc3)c2)=CNC1
InChIInChI=1S/C53H38N6/c1-7-42(31-45(10-1)48-13-4-28-54-34-48)37-16-20-40(21-17-37)52-57-58-53(41-22-18-38(19-23-41)43-8-2-11-46(32-43)49-14-5-29-55-35-49)59(52)51-26-24-39(25-27-51)44-9-3-12-47(33-44)50-15-6-30-56-36-50/h1-29,31-36,56H,30H2
InChIKeyRBYPZABNOQEYJP-UHFFFAOYSA-N
MW758.93 g/mol
LogP12.23
Rot. Bonds9

About 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

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 (PubChem CID 144863983) has the molecular formula C53H38N6 and a molecular weight of 758.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID144863983
Molecular FormulaC53H38N6
Molecular Weight758.93 g/mol
Exact Mass758.32
IUPAC Name3-[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
SMILESC1=CC(c2cccc(-c3ccc(-n4c(-c5ccc(-c6cccc(-c7cccnc7)c6)cc5)nnc4-c4ccc(-c5cccc(-c6cccnc6)c5)cc4)cc3)c2)=CNC1
InChIInChI=1S/C53H38N6/c1-7-42(31-45(10-1)48-13-4-28-54-34-48)37-16-20-40(21-17-37)52-57-58-53(41-22-18-38(19-23-41)43-8-2-11-46(32-43)49-14-5-29-55-35-49)59(52)51-26-24-39(25-27-51)44-9-3-12-47(33-44)50-15-6-30-56-36-50/h1-29,31-36,56H,30H2
InChIKeyRBYPZABNOQEYJP-UHFFFAOYSA-N
XLogP12.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.93
LogP ≤ 512.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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

Launch Full Analysis

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-[4-[3-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 118673055
3-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266205
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
3-[3-[4-(3-cycloocta-1,5,7-trien-1-ylphenyl)-5-(3-pyridin-3-ylphenyl)-1,2,4-triazol-3-yl]phenyl]pyridine
CID 123707215
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
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
9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole
CID 146709956
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-[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
4-(1,2-dihydropyridin-5-yl)pyridine
CID 154469275

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2cccc(-c3ccc(-n4c(-c5ccc(-c6cccc(-c7cccnc7)c6)cc5)nnc4-c4ccc(-c5cccc(-c6cccnc6)c5)cc4)cc3)c2)=CNC1.
What is the InChIKey of 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?
The InChIKey is RBYPZABNOQEYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N6/c1-7-42(31-45(10-1)48-13-4-28-54-34-48)37-16-20-40(21-17-37)52-57-58-53(41-22-18-38(19-23-41)43-8-2-11-46(32-43)49-14-5-29-55-35-49)59(52)51-26-24-39(25-27-51)44-9-3-12-47(33-44)50-15-6-30-56-36-50/h1-29,31-36,56H,30H2.
What are the key properties of 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?
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 has a molecular weight of 758.93 g/mol, XLogP of 12.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144863983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).