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

C57H41NO2 — CID 58725562

IUPAC2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)n4)cc3)cc2)c2ccccc12
InChIInChI=1S/C57H41NO2/c1-59-56-34-32-48(50-12-6-8-14-52(50)56)43-24-16-39(17-25-43)41-20-28-45(29-21-41)54-36-47(38-10-4-3-5-11-38)37-55(58-54)46-30-22-42(23-31-46)40-18-26-44(27-19-40)49-33-35-57(60-2)53-15-9-7-13-51(49)53/h3-37H,1-2H3
InChIKeyFSQYKVDHQCBDMO-UHFFFAOYSA-N
MW771.96 g/mol
LogP15.07
Rot. Bonds9

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

2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine (PubChem CID 58725562) has the molecular formula C57H41NO2 and a molecular weight of 771.96 g/mol. Its IUPAC name is 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine.

Molecular Properties

Compound Name2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine
PubChem CID58725562
Molecular FormulaC57H41NO2
Molecular Weight771.96 g/mol
Exact Mass771.31
IUPAC Name2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)n4)cc3)cc2)c2ccccc12
InChIInChI=1S/C57H41NO2/c1-59-56-34-32-48(50-12-6-8-14-52(50)56)43-24-16-39(17-25-43)41-20-28-45(29-21-41)54-36-47(38-10-4-3-5-11-38)37-55(58-54)46-30-22-42(23-31-46)40-18-26-44(27-19-40)49-33-35-57(60-2)53-15-9-7-13-51(49)53/h3-37H,1-2H3
InChIKeyFSQYKVDHQCBDMO-UHFFFAOYSA-N
XLogP15.07
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.96
LogP ≤ 515.07
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-phenylpyridine?
The IUPAC name of 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine (CID 58725562) is 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine.
What is the SMILES notation for 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine?
The canonical SMILES for 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine is COc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)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-phenylpyridine?
The InChIKey is FSQYKVDHQCBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO2/c1-59-56-34-32-48(50-12-6-8-14-52(50)56)43-24-16-39(17-25-43)41-20-28-45(29-21-41)54-36-47(38-10-4-3-5-11-38)37-55(58-54)46-30-22-42(23-31-46)40-18-26-44(27-19-40)49-33-35-57(60-2)53-15-9-7-13-51(49)53/h3-37H,1-2H3.
What are the key properties of 2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine?
2,6-bis[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]-4-phenylpyridine has a molecular weight of 771.96 g/mol, XLogP of 15.07, 9 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-phenylpyridine is sourced from PubChem (CID 58725562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).