8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline

C50H33N3O — CID 90297748

IUPAC8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cccc(-c3ccc(-c4nn5c(-c6ccccc6)cc6cc(-c7ccco7)c(-c7ccccc7)cc6c5c4-c4ccccn4)cc3)c2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-34(15-5-1)39-20-12-21-40(30-39)35-24-26-38(27-25-35)49-48(45-22-10-11-28-51-45)50-43-33-42(36-16-6-2-7-17-36)44(47-23-13-29-54-47)31-41(43)32-46(53(50)52-49)37-18-8-3-9-19-37/h1-33H
InChIKeyJNHJUBOFUKBUIW-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.14
Rot. Bonds7

About 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline

8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297748) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline
PubChem CID90297748
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cccc(-c3ccc(-c4nn5c(-c6ccccc6)cc6cc(-c7ccco7)c(-c7ccccc7)cc6c5c4-c4ccccn4)cc3)c2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-34(15-5-1)39-20-12-21-40(30-39)35-24-26-38(27-25-35)49-48(45-22-10-11-28-51-45)50-43-33-42(36-16-6-2-7-17-36)44(47-23-13-29-54-47)31-41(43)32-46(53(50)52-49)37-18-8-3-9-19-37/h1-33H
InChIKeyJNHJUBOFUKBUIW-UHFFFAOYSA-N
XLogP13.14
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline (CID 90297748) is 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2cccc(-c3ccc(-c4nn5c(-c6ccccc6)cc6cc(-c7ccco7)c(-c7ccccc7)cc6c5c4-c4ccccn4)cc3)c2)cc1.
What is the InChIKey of 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline?
The InChIKey is JNHJUBOFUKBUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-14-34(15-5-1)39-20-12-21-40(30-39)35-24-26-38(27-25-35)49-48(45-22-10-11-28-51-45)50-43-33-42(36-16-6-2-7-17-36)44(47-23-13-29-54-47)31-41(43)32-46(53(50)52-49)37-18-8-3-9-19-37/h1-33H.
What are the key properties of 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline?
8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline has a molecular weight of 691.83 g/mol, XLogP of 13.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-5,9-diphenyl-2-[4-(3-phenylphenyl)phenyl]-1-pyridin-2-ylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).