2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine

C101H69N — CID 139253750

IUPAC2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cccc(-c6ccccn6)c5)c(-c5ccccc5)c4-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C101H69N/c1-11-34-70(35-12-1)86-67-89(95(77-44-21-6-22-45-77)99(80-50-27-9-28-51-80)93(86)75-40-17-4-18-41-75)73-57-61-82(62-58-73)98-88(72-38-15-3-16-39-72)69-91(84-54-33-55-85(66-84)92-56-31-32-65-102-92)97(79-48-25-8-26-49-79)101(98)83-63-59-74(60-64-83)90-68-87(71-36-13-2-14-37-71)94(76-42-19-5-20-43-76)100(81-52-29-10-30-53-81)96(90)78-46-23-7-24-47-78/h1-69H
InChIKeyOZTNAEZHXDTSSM-UHFFFAOYSA-N
MW1296.67 g/mol
LogP27.75
Rot. Bonds16

About 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine

2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 139253750) has the molecular formula C101H69N and a molecular weight of 1296.67 g/mol. Its IUPAC name is 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
PubChem CID139253750
Molecular FormulaC101H69N
Molecular Weight1296.67 g/mol
Exact Mass1295.54
IUPAC Name2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cccc(-c6ccccn6)c5)c(-c5ccccc5)c4-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C101H69N/c1-11-34-70(35-12-1)86-67-89(95(77-44-21-6-22-45-77)99(80-50-27-9-28-51-80)93(86)75-40-17-4-18-41-75)73-57-61-82(62-58-73)98-88(72-38-15-3-16-39-72)69-91(84-54-33-55-85(66-84)92-56-31-32-65-102-92)97(79-48-25-8-26-49-79)101(98)83-63-59-74(60-64-83)90-68-87(71-36-13-2-14-37-71)94(76-42-19-5-20-43-76)100(81-52-29-10-30-53-81)96(90)78-46-23-7-24-47-78/h1-69H
InChIKeyOZTNAEZHXDTSSM-UHFFFAOYSA-N
XLogP27.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001296.67
LogP ≤ 527.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[3,4-bis[4-[3,4-bis(4-ethynylphenyl)-2,5-diphenylphenyl]phenyl]-2,5-diphenylphenyl]phenyl]pyridine
CID 102418435
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 153429623
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[2,3-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-6-[4-[2-[4-[3-[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-4-[4-[2,5-dipyridin-2-yl-4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-[4-(2,3,4,5-tetraphenyl-6-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-4-(4-methylphenyl)-3,6-dipyridin-2-ylphenyl]phenyl]-4-pyridin-2-ylphenyl]pyridine
CID 58114875
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 139394639
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
4-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 118314559
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine (CID 139253750) is 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine is c1ccc(-c2cc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cccc(-c6ccccn6)c5)c(-c5ccccc5)c4-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is OZTNAEZHXDTSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H69N/c1-11-34-70(35-12-1)86-67-89(95(77-44-21-6-22-45-77)99(80-50-27-9-28-51-80)93(86)75-40-17-4-18-41-75)73-57-61-82(62-58-73)98-88(72-38-15-3-16-39-72)69-91(84-54-33-55-85(66-84)92-56-31-32-65-102-92)97(79-48-25-8-26-49-79)101(98)83-63-59-74(60-64-83)90-68-87(71-36-13-2-14-37-71)94(76-42-19-5-20-43-76)100(81-52-29-10-30-53-81)96(90)78-46-23-7-24-47-78/h1-69H.
What are the key properties of 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine?
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 1296.67 g/mol, XLogP of 27.75, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 139253750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).