2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine

C56H38N2 — CID 118075155

IUPAC2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cccc5c4)cc3)c2)cc1
InChIInChI=1S/C56H38N2/c1-5-14-39(15-6-1)49-35-53(43-18-9-3-10-19-43)57-55(37-49)45-28-24-41(25-29-45)47-32-33-52-48(34-47)22-13-23-51(52)42-26-30-46(31-27-42)56-38-50(40-16-7-2-8-17-40)36-54(58-56)44-20-11-4-12-21-44/h1-38H
InChIKeyCGJHLTPTZOVDFG-UHFFFAOYSA-N
MW738.93 g/mol
LogP14.97
Rot. Bonds8

About 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine

2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine (PubChem CID 118075155) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
PubChem CID118075155
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cccc5c4)cc3)c2)cc1
InChIInChI=1S/C56H38N2/c1-5-14-39(15-6-1)49-35-53(43-18-9-3-10-19-43)57-55(37-49)45-28-24-41(25-29-45)47-32-33-52-48(34-47)22-13-23-51(52)42-26-30-46(31-27-42)56-38-50(40-16-7-2-8-17-40)36-54(58-56)44-20-11-4-12-21-44/h1-38H
InChIKeyCGJHLTPTZOVDFG-UHFFFAOYSA-N
XLogP14.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine (CID 118075155) is 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cccc5c4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine?
The InChIKey is CGJHLTPTZOVDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-5-14-39(15-6-1)49-35-53(43-18-9-3-10-19-43)57-55(37-49)45-28-24-41(25-29-45)47-32-33-52-48(34-47)22-13-23-51(52)42-26-30-46(31-27-42)56-38-50(40-16-7-2-8-17-40)36-54(58-56)44-20-11-4-12-21-44/h1-38H.
What are the key properties of 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine?
2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine has a molecular weight of 738.93 g/mol, XLogP of 14.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 118075155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).