5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine

C67H57N3 — CID 165149245

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine
SMILESc1ccc(-c2ccc(C3CCC(c4cc(-c5ccccc5)ncc4-c4ccccc4-c4cc(CCc5ccc(-c6ccccc6)nc5)cc(CCc5ccc(-c6ccccc6)nc5)c4)CC3)cc2)cc1
InChIInChI=1S/C67H57N3/c1-5-15-52(16-6-1)53-31-33-54(34-32-53)55-35-37-56(38-36-55)63-44-67(59-21-11-4-12-22-59)70-47-64(63)62-24-14-13-23-61(62)60-42-50(27-25-48-29-39-65(68-45-48)57-17-7-2-8-18-57)41-51(43-60)28-26-49-30-40-66(69-46-49)58-19-9-3-10-20-58/h1-24,29-34,39-47,55-56H,25-28,35-38H2
InChIKeyZYXOHQAZBJPNNW-UHFFFAOYSA-N
MW904.21 g/mol
LogP16.89
Rot. Bonds14

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine (PubChem CID 165149245) has the molecular formula C67H57N3 and a molecular weight of 904.21 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine
PubChem CID165149245
Molecular FormulaC67H57N3
Molecular Weight904.21 g/mol
Exact Mass903.46
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine
SMILESc1ccc(-c2ccc(C3CCC(c4cc(-c5ccccc5)ncc4-c4ccccc4-c4cc(CCc5ccc(-c6ccccc6)nc5)cc(CCc5ccc(-c6ccccc6)nc5)c4)CC3)cc2)cc1
InChIInChI=1S/C67H57N3/c1-5-15-52(16-6-1)53-31-33-54(34-32-53)55-35-37-56(38-36-55)63-44-67(59-21-11-4-12-22-59)70-47-64(63)62-24-14-13-23-61(62)60-42-50(27-25-48-29-39-65(68-45-48)57-17-7-2-8-18-57)41-51(43-60)28-26-49-30-40-66(69-46-49)58-19-9-3-10-20-58/h1-24,29-34,39-47,55-56H,25-28,35-38H2
InChIKeyZYXOHQAZBJPNNW-UHFFFAOYSA-N
XLogP16.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.21
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
CID 165148497
[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-pyridinyl]-diphenylborane
CID 165148311
4-(4-cyclohexylphenyl)-5-[2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenylpyridine
CID 169048532
3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 165148910
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 177269899
2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 165149263
2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine
CID 169048591
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one
CID 165149434
2-[4-[2-[3-[2-[4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2-pyridinyl]phenyl]phenyl]-5-methylphenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 169048594
4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenyl-5-[1,1,2,2-tetradeuterio-2-[3-[1,1-dideuterio-2-[6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 161197258
iridium(3+);2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 164776191
5-[2-[3-[2-[4-(3-methyl-1,2-dihydroimidazol-2-yl)phenyl]ethyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]ethyl]phenyl]phenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 165148799

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine (CID 165149245) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine is c1ccc(-c2ccc(C3CCC(c4cc(-c5ccccc5)ncc4-c4ccccc4-c4cc(CCc5ccc(-c6ccccc6)nc5)cc(CCc5ccc(-c6ccccc6)nc5)c4)CC3)cc2)cc1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine?
The InChIKey is ZYXOHQAZBJPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N3/c1-5-15-52(16-6-1)53-31-33-54(34-32-53)55-35-37-56(38-36-55)63-44-67(59-21-11-4-12-22-59)70-47-64(63)62-24-14-13-23-61(62)60-42-50(27-25-48-29-39-65(68-45-48)57-17-7-2-8-18-57)41-51(43-60)28-26-49-30-40-66(69-46-49)58-19-9-3-10-20-58/h1-24,29-34,39-47,55-56H,25-28,35-38H2.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine has a molecular weight of 904.21 g/mol, XLogP of 16.89, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine is sourced from PubChem (CID 165149245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).