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

C77H53N — CID 153429623

IUPAC2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c(-c4ccccc4-c4cccc(-c5ccccn5)c4)c(-c4ccc(-c5ccccc5)cc4)c3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C77H53N/c1-6-21-54(22-7-1)58-36-44-63(45-37-58)72-73(64-46-38-59(39-47-64)55-23-8-2-9-24-55)75(62-29-14-5-15-30-62)77(70-34-17-16-33-69(70)67-31-20-32-68(53-67)71-35-18-19-52-78-71)76(66-50-42-61(43-51-66)57-27-12-4-13-28-57)74(72)65-48-40-60(41-49-65)56-25-10-3-11-26-56/h1-53H
InChIKeyCKQFUDTWQOOGSL-UHFFFAOYSA-N
MW992.28 g/mol
LogP21.09
Rot. Bonds12

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

2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 153429623) has the molecular formula C77H53N and a molecular weight of 992.28 g/mol. Its IUPAC name is 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
PubChem CID153429623
Molecular FormulaC77H53N
Molecular Weight992.28 g/mol
Exact Mass991.42
IUPAC Name2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c(-c4ccccc4-c4cccc(-c5ccccn5)c4)c(-c4ccc(-c5ccccc5)cc4)c3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C77H53N/c1-6-21-54(22-7-1)58-36-44-63(45-37-58)72-73(64-46-38-59(39-47-64)55-23-8-2-9-24-55)75(62-29-14-5-15-30-62)77(70-34-17-16-33-69(70)67-31-20-32-68(53-67)71-35-18-19-52-78-71)76(66-50-42-61(43-51-66)57-27-12-4-13-28-57)74(72)65-48-40-60(41-49-65)56-25-10-3-11-26-56/h1-53H
InChIKeyCKQFUDTWQOOGSL-UHFFFAOYSA-N
XLogP21.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.28
LogP ≤ 521.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 139253750
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 139394639
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[3-[3,4-bis[4-[3,4-bis(4-ethynylphenyl)-2,5-diphenylphenyl]phenyl]-2,5-diphenylphenyl]phenyl]pyridine
CID 102418435
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
5-[2-[3,5-bis[2-[6-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]pyridine
CID 153429712
2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434537

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine (CID 153429623) is 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine is c1ccc(-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c(-c4ccccc4-c4cccc(-c5ccccn5)c4)c(-c4ccc(-c5ccccc5)cc4)c3-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is CKQFUDTWQOOGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H53N/c1-6-21-54(22-7-1)58-36-44-63(45-37-58)72-73(64-46-38-59(39-47-64)55-23-8-2-9-24-55)75(62-29-14-5-15-30-62)77(70-34-17-16-33-69(70)67-31-20-32-68(53-67)71-35-18-19-52-78-71)76(66-50-42-61(43-51-66)57-27-12-4-13-28-57)74(72)65-48-40-60(41-49-65)56-25-10-3-11-26-56/h1-53H.
What are the key properties of 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine?
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 992.28 g/mol, XLogP of 21.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 153429623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).