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

C58H39N3 — CID 167328696

IUPAC1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c(c5)cc(-c5ccccc5)n5nc(-c7ccccc7)c(-c7ccccc7)c65)c4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C58H39N3/c1-6-18-40(19-7-1)45-28-17-31-49(35-45)54-38-50(37-53(59-54)41-20-8-2-9-21-41)47-30-16-29-46(34-47)48-32-33-52-51(36-48)39-55(42-22-10-3-11-23-42)61-58(52)56(43-24-12-4-13-25-43)57(60-61)44-26-14-5-15-27-44/h1-39H
InChIKeyMTWZGUFZKXCKLN-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.22
Rot. Bonds8

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

1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline (PubChem CID 167328696) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline
PubChem CID167328696
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c(c5)cc(-c5ccccc5)n5nc(-c7ccccc7)c(-c7ccccc7)c65)c4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C58H39N3/c1-6-18-40(19-7-1)45-28-17-31-49(35-45)54-38-50(37-53(59-54)41-20-8-2-9-21-41)47-30-16-29-46(34-47)48-32-33-52-51(36-48)39-55(42-22-10-3-11-23-42)61-58(52)56(43-24-12-4-13-25-43)57(60-61)44-26-14-5-15-27-44/h1-39H
InChIKeyMTWZGUFZKXCKLN-UHFFFAOYSA-N
XLogP15.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

8-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328661
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
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
1,2,5-triphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]pyrazolo[5,1-a]isoquinoline
CID 167328856
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328582

Frequently Asked Questions

What is the IUPAC name of 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline (CID 167328696) is 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc6c(c5)cc(-c5ccccc5)n5nc(-c7ccccc7)c(-c7ccccc7)c65)c4)cc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline?
The InChIKey is MTWZGUFZKXCKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-6-18-40(19-7-1)45-28-17-31-49(35-45)54-38-50(37-53(59-54)41-20-8-2-9-21-41)47-30-16-29-46(34-47)48-32-33-52-51(36-48)39-55(42-22-10-3-11-23-42)61-58(52)56(43-24-12-4-13-25-43)57(60-61)44-26-14-5-15-27-44/h1-39H.
What are the key properties of 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline?
1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline has a molecular weight of 777.97 g/mol, XLogP of 15.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-triphenyl-8-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 167328696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).