2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine

C63H45NO2 — CID 58725571

IUPAC2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)n4)cc3)cc2)c2ccccc12
InChIInChI=1S/C63H45NO2/c1-65-62-38-36-54(56-12-6-8-14-58(56)62)49-28-20-44(21-29-49)46-24-32-51(33-25-46)60-40-53(48-18-16-43(17-19-48)42-10-4-3-5-11-42)41-61(64-60)52-34-26-47(27-35-52)45-22-30-50(31-23-45)55-37-39-63(66-2)59-15-9-7-13-57(55)59/h3-41H,1-2H3
InChIKeyFWBIOBFBINDJBV-UHFFFAOYSA-N
MW848.06 g/mol
LogP16.74
Rot. Bonds10

About 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine

2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine (PubChem CID 58725571) has the molecular formula C63H45NO2 and a molecular weight of 848.06 g/mol. Its IUPAC name is 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine
PubChem CID58725571
Molecular FormulaC63H45NO2
Molecular Weight848.06 g/mol
Exact Mass847.35
IUPAC Name2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)n4)cc3)cc2)c2ccccc12
InChIInChI=1S/C63H45NO2/c1-65-62-38-36-54(56-12-6-8-14-58(56)62)49-28-20-44(21-29-49)46-24-32-51(33-25-46)60-40-53(48-18-16-43(17-19-48)42-10-4-3-5-11-42)41-61(64-60)52-34-26-47(27-35-52)45-22-30-50(31-23-45)55-37-39-63(66-2)59-15-9-7-13-57(55)59/h3-41H,1-2H3
InChIKeyFWBIOBFBINDJBV-UHFFFAOYSA-N
XLogP16.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.06
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine (CID 58725571) is 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine is COc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)n4)cc3)cc2)c2ccccc12.
What is the InChIKey of 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The InChIKey is FWBIOBFBINDJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NO2/c1-65-62-38-36-54(56-12-6-8-14-58(56)62)49-28-20-44(21-29-49)46-24-32-51(33-25-46)60-40-53(48-18-16-43(17-19-48)42-10-4-3-5-11-42)41-61(64-60)52-34-26-47(27-35-52)45-22-30-50(31-23-45)55-37-39-63(66-2)59-15-9-7-13-57(55)59/h3-41H,1-2H3.
What are the key properties of 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine has a molecular weight of 848.06 g/mol, XLogP of 16.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 58725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).