2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine

C60H40N2O2 — CID 58692957

IUPAC2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Oc6ccc7ccccc7c6)c5)c4)c3)cc(-c3cccc(Oc4ccc5ccccc5c4)c3)n2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-16-43(17-4-1)57-37-51(39-59(61-57)49-24-12-26-53(35-49)63-55-30-28-41-14-7-9-20-47(41)33-55)45-22-11-23-46(32-45)52-38-58(44-18-5-2-6-19-44)62-60(40-52)50-25-13-27-54(36-50)64-56-31-29-42-15-8-10-21-48(42)34-56/h1-40H
InChIKeyAEMFLTRPKPEFQX-UHFFFAOYSA-N
MW820.99 g/mol
LogP16.37
Rot. Bonds10

About 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine

2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (PubChem CID 58692957) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
PubChem CID58692957
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC Name2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Oc6ccc7ccccc7c6)c5)c4)c3)cc(-c3cccc(Oc4ccc5ccccc5c4)c3)n2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-16-43(17-4-1)57-37-51(39-59(61-57)49-24-12-26-53(35-49)63-55-30-28-41-14-7-9-20-47(41)33-55)45-22-11-23-46(32-45)52-38-58(44-18-5-2-6-19-44)62-60(40-52)50-25-13-27-54(36-50)64-56-31-29-42-15-8-10-21-48(42)34-56/h1-40H
InChIKeyAEMFLTRPKPEFQX-UHFFFAOYSA-N
XLogP16.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.99
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The IUPAC name of 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (CID 58692957) is 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.
What is the SMILES notation for 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The canonical SMILES for 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Oc6ccc7ccccc7c6)c5)c4)c3)cc(-c3cccc(Oc4ccc5ccccc5c4)c3)n2)cc1.
What is the InChIKey of 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The InChIKey is AEMFLTRPKPEFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-3-16-43(17-4-1)57-37-51(39-59(61-57)49-24-12-26-53(35-49)63-55-30-28-41-14-7-9-20-47(41)33-55)45-22-11-23-46(32-45)52-38-58(44-18-5-2-6-19-44)62-60(40-52)50-25-13-27-54(36-50)64-56-31-29-42-15-8-10-21-48(42)34-56/h1-40H.
What are the key properties of 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine has a molecular weight of 820.99 g/mol, XLogP of 16.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yloxyphenyl)-4-[3-[2-(3-naphthalen-2-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is sourced from PubChem (CID 58692957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).