2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine

C73H57N3 — CID 171448310

IUPAC2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine
SMILESC1=C(c2cc(CCc3ccc(-c4cccc(-c5ccccc5)n4)cc3)cc(CCc3ccc(-c4cccc(-c5ccccc5)n4)cc3)c2)C(c2ccc(-c3ccccn3)cc2-c2ccc(-c3ccccc3)cc2)=CCC1
InChIInChI=1S/C73H57N3/c1-4-16-56(17-5-1)57-41-43-58(44-42-57)68-51-63(69-24-12-13-47-74-69)45-46-67(68)66-23-11-10-22-65(66)64-49-54(31-29-52-33-37-61(38-34-52)72-27-14-25-70(75-72)59-18-6-2-7-19-59)48-55(50-64)32-30-53-35-39-62(40-36-53)73-28-15-26-71(76-73)60-20-8-3-9-21-60/h1-9,12-28,33-51H,10-11,29-32H2
InChIKeyJQIHECGQJDXEPA-UHFFFAOYSA-N
MW976.28 g/mol
LogP18.37
Rot. Bonds15

About 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine

2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine (PubChem CID 171448310) has the molecular formula C73H57N3 and a molecular weight of 976.28 g/mol. Its IUPAC name is 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine.

Molecular Properties

Compound Name2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine
PubChem CID171448310
Molecular FormulaC73H57N3
Molecular Weight976.28 g/mol
Exact Mass975.46
IUPAC Name2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine
SMILESC1=C(c2cc(CCc3ccc(-c4cccc(-c5ccccc5)n4)cc3)cc(CCc3ccc(-c4cccc(-c5ccccc5)n4)cc3)c2)C(c2ccc(-c3ccccn3)cc2-c2ccc(-c3ccccc3)cc2)=CCC1
InChIInChI=1S/C73H57N3/c1-4-16-56(17-5-1)57-41-43-58(44-42-57)68-51-63(69-24-12-13-47-74-69)45-46-67(68)66-23-11-10-22-65(66)64-49-54(31-29-52-33-37-61(38-34-52)72-27-14-25-70(75-72)59-18-6-2-7-19-59)48-55(50-64)32-30-53-35-39-62(40-36-53)73-28-15-26-71(76-73)60-20-8-3-9-21-60/h1-9,12-28,33-51H,10-11,29-32H2
InChIKeyJQIHECGQJDXEPA-UHFFFAOYSA-N
XLogP18.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.28
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole
CID 165149239
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
CID 165148204
2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 165149037
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol
CID 165149477
2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148303
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine?
The IUPAC name of 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine (CID 171448310) is 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine.
What is the SMILES notation for 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine?
The canonical SMILES for 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine is C1=C(c2cc(CCc3ccc(-c4cccc(-c5ccccc5)n4)cc3)cc(CCc3ccc(-c4cccc(-c5ccccc5)n4)cc3)c2)C(c2ccc(-c3ccccn3)cc2-c2ccc(-c3ccccc3)cc2)=CCC1.
What is the InChIKey of 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine?
The InChIKey is JQIHECGQJDXEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H57N3/c1-4-16-56(17-5-1)57-41-43-58(44-42-57)68-51-63(69-24-12-13-47-74-69)45-46-67(68)66-23-11-10-22-65(66)64-49-54(31-29-52-33-37-61(38-34-52)72-27-14-25-70(75-72)59-18-6-2-7-19-59)48-55(50-64)32-30-53-35-39-62(40-36-53)73-28-15-26-71(76-73)60-20-8-3-9-21-60/h1-9,12-28,33-51H,10-11,29-32H2.
What are the key properties of 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine?
2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine has a molecular weight of 976.28 g/mol, XLogP of 18.37, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine is sourced from PubChem (CID 171448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).