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

C59H41N — CID 121311684

IUPAC2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)c5)c4)c3)cc2)cc1
InChIInChI=1S/C59H41N/c1-6-16-42(17-7-1)46-26-30-48(31-27-46)52-34-51(44-20-10-3-11-21-44)36-55(37-52)56-40-58(50-24-14-5-15-25-50)60-59(41-56)57-38-53(45-22-12-4-13-23-45)35-54(39-57)49-32-28-47(29-33-49)43-18-8-2-9-19-43/h1-41H
InChIKeyNTZHQIUQQUVOJP-UHFFFAOYSA-N
MW763.98 g/mol
LogP16.08
Rot. Bonds9

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

2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine (PubChem CID 121311684) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
PubChem CID121311684
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC Name2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)c5)c4)c3)cc2)cc1
InChIInChI=1S/C59H41N/c1-6-16-42(17-7-1)46-26-30-48(31-27-46)52-34-51(44-20-10-3-11-21-44)36-55(37-52)56-40-58(50-24-14-5-15-25-50)60-59(41-56)57-38-53(45-22-12-4-13-23-45)35-54(39-57)49-32-28-47(29-33-49)43-18-8-2-9-19-43/h1-41H
InChIKeyNTZHQIUQQUVOJP-UHFFFAOYSA-N
XLogP16.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine?
The IUPAC name of 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine (CID 121311684) is 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine?
The canonical SMILES for 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)c5)c4)c3)cc2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine?
The InChIKey is NTZHQIUQQUVOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-6-16-42(17-7-1)46-26-30-48(31-27-46)52-34-51(44-20-10-3-11-21-44)36-55(37-52)56-40-58(50-24-14-5-15-25-50)60-59(41-56)57-38-53(45-22-12-4-13-23-45)35-54(39-57)49-32-28-47(29-33-49)43-18-8-2-9-19-43/h1-41H.
What are the key properties of 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine?
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine has a molecular weight of 763.98 g/mol, XLogP of 16.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine is sourced from PubChem (CID 121311684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).