8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

C64H43N3 — CID 167328661

IUPAC8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)cc(-c5ccccc5)n5nc(-c7ccccc7)c(-c7ccccc7)c65)c4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C64H43N3/c1-6-17-44(18-7-1)46-29-33-48(34-30-46)59-41-56(42-60(65-59)49-35-31-47(32-36-49)45-19-8-2-9-20-45)54-28-16-27-53(39-54)55-37-38-58-57(40-55)43-61(50-21-10-3-11-22-50)67-64(58)62(51-23-12-4-13-24-51)63(66-67)52-25-14-5-15-26-52/h1-43H
InChIKeyVOBXJNYRRUKSBH-UHFFFAOYSA-N
MW854.07 g/mol
LogP16.89
Rot. Bonds9

About 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 167328661) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
PubChem CID167328661
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC Name8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)cc(-c5ccccc5)n5nc(-c7ccccc7)c(-c7ccccc7)c65)c4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C64H43N3/c1-6-17-44(18-7-1)46-29-33-48(34-30-46)59-41-56(42-60(65-59)49-35-31-47(32-36-49)45-19-8-2-9-20-45)54-28-16-27-53(39-54)55-37-38-58-57(40-55)43-61(50-21-10-3-11-22-50)67-64(58)62(51-23-12-4-13-24-51)63(66-67)52-25-14-5-15-26-52/h1-43H
InChIKeyVOBXJNYRRUKSBH-UHFFFAOYSA-N
XLogP16.89
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 167328696
8-(2,6-diphenyl-4-pyridinyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328640
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328729
8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328851
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328543
9-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328576
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328582
8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328822
2-[3-[2-(4-dibenzothiophen-3-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928167
2,5-diphenyl-1-[3-(6-phenyl-2-triphenylen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 164927762
1-(3,5-diphenylphenyl)-2,5,8,9-tetraphenylpyrazolo[5,1-a]isoquinoline
CID 90297628

Frequently Asked Questions

What is the IUPAC name of 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (CID 167328661) is 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)cc(-c5ccccc5)n5nc(-c7ccccc7)c(-c7ccccc7)c65)c4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is VOBXJNYRRUKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-6-17-44(18-7-1)46-29-33-48(34-30-46)59-41-56(42-60(65-59)49-35-31-47(32-36-49)45-19-8-2-9-20-45)54-28-16-27-53(39-54)55-37-38-58-57(40-55)43-61(50-21-10-3-11-22-50)67-64(58)62(51-23-12-4-13-24-51)63(66-67)52-25-14-5-15-26-52/h1-43H.
What are the key properties of 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 854.07 g/mol, XLogP of 16.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 167328661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).