4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine

C58H42N4 — CID 132595552

IUPAC4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(C(c3ccc(-c4ccncc4)cc3)C(c3ccc(-c4ccncc4)cc3)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H42N4/c1-5-13-45(14-6-1)53-37-51(38-54(61-53)46-15-7-2-8-16-46)57(49-25-21-41(22-26-49)43-29-33-59-34-30-43)58(50-27-23-42(24-28-50)44-31-35-60-36-32-44)52-39-55(47-17-9-3-10-18-47)62-56(40-52)48-19-11-4-12-20-48/h1-40,57-58H
InChIKeyNAISQUVOFBHLKQ-UHFFFAOYSA-N
MW795.00 g/mol
LogP14.23
Rot. Bonds11

About 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine

4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine (PubChem CID 132595552) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine
PubChem CID132595552
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(C(c3ccc(-c4ccncc4)cc3)C(c3ccc(-c4ccncc4)cc3)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H42N4/c1-5-13-45(14-6-1)53-37-51(38-54(61-53)46-15-7-2-8-16-46)57(49-25-21-41(22-26-49)43-29-33-59-34-30-43)58(50-27-23-42(24-28-50)44-31-35-60-36-32-44)52-39-55(47-17-9-3-10-18-47)62-56(40-52)48-19-11-4-12-20-48/h1-40,57-58H
InChIKeyNAISQUVOFBHLKQ-UHFFFAOYSA-N
XLogP14.23
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine with MolForge

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Related Compounds

2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine
CID 134943056
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
CID 118582495

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine (CID 132595552) is 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine is c1ccc(-c2cc(C(c3ccc(-c4ccncc4)cc3)C(c3ccc(-c4ccncc4)cc3)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine?
The InChIKey is NAISQUVOFBHLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-5-13-45(14-6-1)53-37-51(38-54(61-53)46-15-7-2-8-16-46)57(49-25-21-41(22-26-49)43-29-33-59-34-30-43)58(50-27-23-42(24-28-50)44-31-35-60-36-32-44)52-39-55(47-17-9-3-10-18-47)62-56(40-52)48-19-11-4-12-20-48/h1-40,57-58H.
What are the key properties of 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine?
4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine has a molecular weight of 795.00 g/mol, XLogP of 14.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-diphenyl-4-pyridinyl)-1,2-bis(4-pyridin-4-ylphenyl)ethyl]-2,6-diphenylpyridine is sourced from PubChem (CID 132595552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).