2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine

C59H39N — CID 118901430

IUPAC2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
SMILESc1cc(-c2ccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4cccc(-c5cccc6ccccc56)c4)c3)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C59H39N/c1-4-25-52-42(13-1)16-10-28-55(52)46-20-7-19-45(35-46)40-31-33-41(34-32-40)51-38-58(49-23-8-21-47(36-49)56-29-11-17-43-14-2-5-26-53(43)56)60-59(39-51)50-24-9-22-48(37-50)57-30-12-18-44-15-3-6-27-54(44)57/h1-39H
InChIKeyFZZVUWFQKPHKQD-UHFFFAOYSA-N
MW761.97 g/mol
LogP16.21
Rot. Bonds7

About 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine

2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine (PubChem CID 118901430) has the molecular formula C59H39N and a molecular weight of 761.97 g/mol. Its IUPAC name is 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
PubChem CID118901430
Molecular FormulaC59H39N
Molecular Weight761.97 g/mol
Exact Mass761.31
IUPAC Name2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
SMILESc1cc(-c2ccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4cccc(-c5cccc6ccccc56)c4)c3)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C59H39N/c1-4-25-52-42(13-1)16-10-28-55(52)46-20-7-19-45(35-46)40-31-33-41(34-32-40)51-38-58(49-23-8-21-47(36-49)56-29-11-17-43-14-2-5-26-53(43)56)60-59(39-51)50-24-9-22-48(37-50)57-30-12-18-44-15-3-6-27-54(44)57/h1-39H
InChIKeyFZZVUWFQKPHKQD-UHFFFAOYSA-N
XLogP16.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine?
The IUPAC name of 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine (CID 118901430) is 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine is c1cc(-c2ccc(-c3cc(-c4cccc(-c5cccc6ccccc56)c4)nc(-c4cccc(-c5cccc6ccccc56)c4)c3)cc2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine?
The InChIKey is FZZVUWFQKPHKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N/c1-4-25-52-42(13-1)16-10-28-55(52)46-20-7-19-45(35-46)40-31-33-41(34-32-40)51-38-58(49-23-8-21-47(36-49)56-29-11-17-43-14-2-5-26-53(43)56)60-59(39-51)50-24-9-22-48(37-50)57-30-12-18-44-15-3-6-27-54(44)57/h1-39H.
What are the key properties of 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine?
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine has a molecular weight of 761.97 g/mol, XLogP of 16.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 118901430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).