4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine

C47H33N — CID 58943272

IUPAC4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C47H33N/c1-5-13-34(14-6-1)36-21-25-38(26-22-36)42-29-43(39-27-23-37(24-28-39)35-15-7-2-8-16-35)31-44(30-42)45-32-46(40-17-9-3-10-18-40)48-47(33-45)41-19-11-4-12-20-41/h1-33H
InChIKeyZMGBTBSUOUUGKT-UHFFFAOYSA-N
MW611.79 g/mol
LogP12.75
Rot. Bonds7

About 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine

4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine (PubChem CID 58943272) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
PubChem CID58943272
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC Name4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C47H33N/c1-5-13-34(14-6-1)36-21-25-38(26-22-36)42-29-43(39-27-23-37(24-28-39)35-15-7-2-8-16-35)31-44(30-42)45-32-46(40-17-9-3-10-18-40)48-47(33-45)41-19-11-4-12-20-41/h1-33H
InChIKeyZMGBTBSUOUUGKT-UHFFFAOYSA-N
XLogP12.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine (CID 58943272) is 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)cc1.
What is the InChIKey of 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine?
The InChIKey is ZMGBTBSUOUUGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-5-13-34(14-6-1)36-21-25-38(26-22-36)42-29-43(39-27-23-37(24-28-39)35-15-7-2-8-16-35)31-44(30-42)45-32-46(40-17-9-3-10-18-40)48-47(33-45)41-19-11-4-12-20-41/h1-33H.
What are the key properties of 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine?
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine has a molecular weight of 611.79 g/mol, XLogP of 12.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 58943272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).