8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline

C43H31N3O2 — CID 90297318

IUPAC8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1cc2cc(-c3ccccc3)n3nc(-c4cc5ccccc5n4-c4ccccc4)c(-c4cccc5ccccc45)c3c2cc1OC
InChIInChI=1S/C43H31N3O2/c1-47-39-26-31-25-37(29-15-5-3-6-16-29)46-43(35(31)27-40(39)48-2)41(34-22-13-18-28-14-9-11-21-33(28)34)42(44-46)38-24-30-17-10-12-23-36(30)45(38)32-19-7-4-8-20-32/h3-27H,1-2H3
InChIKeyLLESWYIQCIBXNR-UHFFFAOYSA-N
MW621.74 g/mol
LogP10.60
Rot. Bonds6

About 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline

8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline (PubChem CID 90297318) has the molecular formula C43H31N3O2 and a molecular weight of 621.74 g/mol. Its IUPAC name is 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline
PubChem CID90297318
Molecular FormulaC43H31N3O2
Molecular Weight621.74 g/mol
Exact Mass621.24
IUPAC Name8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1cc2cc(-c3ccccc3)n3nc(-c4cc5ccccc5n4-c4ccccc4)c(-c4cccc5ccccc45)c3c2cc1OC
InChIInChI=1S/C43H31N3O2/c1-47-39-26-31-25-37(29-15-5-3-6-16-29)46-43(35(31)27-40(39)48-2)41(34-22-13-18-28-14-9-11-21-33(28)34)42(44-46)38-24-30-17-10-12-23-36(30)45(38)32-19-7-4-8-20-32/h3-27H,1-2H3
InChIKeyLLESWYIQCIBXNR-UHFFFAOYSA-N
XLogP10.60
TPSA40.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline (CID 90297318) is 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline is COc1cc2cc(-c3ccccc3)n3nc(-c4cc5ccccc5n4-c4ccccc4)c(-c4cccc5ccccc45)c3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is LLESWYIQCIBXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O2/c1-47-39-26-31-25-37(29-15-5-3-6-16-29)46-43(35(31)27-40(39)48-2)41(34-22-13-18-28-14-9-11-21-33(28)34)42(44-46)38-24-30-17-10-12-23-36(30)45(38)32-19-7-4-8-20-32/h3-27H,1-2H3.
What are the key properties of 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline?
8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 621.74 g/mol, XLogP of 10.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-naphthalen-1-yl-5-phenyl-2-(1-phenylindol-2-yl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).