6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline

C45H30N4 — CID 155029700

IUPAC6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C45H30N4/c1-3-13-32(14-4-1)40-30-48-49-44(34-15-5-2-6-16-34)43(38-17-7-8-18-39(38)45(40)49)33-23-21-31(22-24-33)35-27-36(41-19-9-11-25-46-41)29-37(28-35)42-20-10-12-26-47-42/h1-30H
InChIKeyQLDAPVKQAIKJSE-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.28
Rot. Bonds6

About 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline

6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 155029700) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
PubChem CID155029700
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C45H30N4/c1-3-13-32(14-4-1)40-30-48-49-44(34-15-5-2-6-16-34)43(38-17-7-8-18-39(38)45(40)49)33-23-21-31(22-24-33)35-27-36(41-19-9-11-25-46-41)29-37(28-35)42-20-10-12-26-47-42/h1-30H
InChIKeyQLDAPVKQAIKJSE-UHFFFAOYSA-N
XLogP11.28
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158969
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155029490
6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155158955
6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(9,9-diphenylfluoren-3-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;1,5-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline;6-(4-diphenylphosphorylphenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-(4-phenanthren-9-ylphenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 158849575
1,5-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159034
1,5-diphenyl-6-(4-phenylquinazolin-2-yl)pyrazolo[5,1-a]isoquinoline
CID 155158465
1,5-diphenyl-6-(2-phenylquinazolin-4-yl)pyrazolo[5,1-a]isoquinoline
CID 155158470
2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 139394639
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 139253750
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 153429623
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline (CID 155029700) is 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)cc4)c4ccccc4c23)cc1.
What is the InChIKey of 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is QLDAPVKQAIKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-3-13-32(14-4-1)40-30-48-49-44(34-15-5-2-6-16-34)43(38-17-7-8-18-39(38)45(40)49)33-23-21-31(22-24-33)35-27-36(41-19-9-11-25-46-41)29-37(28-35)42-20-10-12-26-47-42/h1-30H.
What are the key properties of 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 626.76 g/mol, XLogP of 11.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 155029700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).