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

C69H47N3 — CID 58693115

IUPAC4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5ccccc5-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C69H47N3/c1-7-23-48(24-8-1)60-35-19-21-37-62(60)68-46-59(47-69(72-68)63-38-22-20-36-61(63)49-25-9-2-10-26-49)56-40-54(57-42-64(50-27-11-3-12-28-50)70-65(43-57)51-29-13-4-14-30-51)39-55(41-56)58-44-66(52-31-15-5-16-32-52)71-67(45-58)53-33-17-6-18-34-53/h1-47H
InChIKeyZXOIKZQMXACGSX-UHFFFAOYSA-N
MW918.16 g/mol
LogP18.21
Rot. Bonds11

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

4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine (PubChem CID 58693115) has the molecular formula C69H47N3 and a molecular weight of 918.16 g/mol. Its IUPAC name is 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine.

Molecular Properties

Compound Name4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
PubChem CID58693115
Molecular FormulaC69H47N3
Molecular Weight918.16 g/mol
Exact Mass917.38
IUPAC Name4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5ccccc5-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C69H47N3/c1-7-23-48(24-8-1)60-35-19-21-37-62(60)68-46-59(47-69(72-68)63-38-22-20-36-61(63)49-25-9-2-10-26-49)56-40-54(57-42-64(50-27-11-3-12-28-50)70-65(43-57)51-29-13-4-14-30-51)39-55(41-56)58-44-66(52-31-15-5-16-32-52)71-67(45-58)53-33-17-6-18-34-53/h1-47H
InChIKeyZXOIKZQMXACGSX-UHFFFAOYSA-N
XLogP18.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.16
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine?
The IUPAC name of 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine (CID 58693115) is 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine.
What is the SMILES notation for 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine?
The canonical SMILES for 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5ccccc5-c5ccccc5)c4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine?
The InChIKey is ZXOIKZQMXACGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3/c1-7-23-48(24-8-1)60-35-19-21-37-62(60)68-46-59(47-69(72-68)63-38-22-20-36-61(63)49-25-9-2-10-26-49)56-40-54(57-42-64(50-27-11-3-12-28-50)70-65(43-57)51-29-13-4-14-30-51)39-55(41-56)58-44-66(52-31-15-5-16-32-52)71-67(45-58)53-33-17-6-18-34-53/h1-47H.
What are the key properties of 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine?
4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine has a molecular weight of 918.16 g/mol, XLogP of 18.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine is sourced from PubChem (CID 58693115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).