8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline

C43H32N2O2 — CID 90297312

IUPAC8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1cc2cc(-c3ccccc3)n3nc(-c4cccc(-c5ccccc5)c4)c(-c4cccc(-c5ccccc5)c4)c3c2cc1OC
InChIInChI=1S/C43H32N2O2/c1-46-39-27-36-26-38(31-18-10-5-11-19-31)45-43(37(36)28-40(39)47-2)41(34-22-12-20-32(24-34)29-14-6-3-7-15-29)42(44-45)35-23-13-21-33(25-35)30-16-8-4-9-17-30/h3-28H,1-2H3
InChIKeyBTZGDDKVVJCCMS-UHFFFAOYSA-N
MW608.74 g/mol
LogP10.84
Rot. Bonds7

About 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline

8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 90297312) has the molecular formula C43H32N2O2 and a molecular weight of 608.74 g/mol. Its IUPAC name is 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline
PubChem CID90297312
Molecular FormulaC43H32N2O2
Molecular Weight608.74 g/mol
Exact Mass608.25
IUPAC Name8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1cc2cc(-c3ccccc3)n3nc(-c4cccc(-c5ccccc5)c4)c(-c4cccc(-c5ccccc5)c4)c3c2cc1OC
InChIInChI=1S/C43H32N2O2/c1-46-39-27-36-26-38(31-18-10-5-11-19-31)45-43(37(36)28-40(39)47-2)41(34-22-12-20-32(24-34)29-14-6-3-7-15-29)42(44-45)35-23-13-21-33(25-35)30-16-8-4-9-17-30/h3-28H,1-2H3
InChIKeyBTZGDDKVVJCCMS-UHFFFAOYSA-N
XLogP10.84
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline (CID 90297312) is 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline is COc1cc2cc(-c3ccccc3)n3nc(-c4cccc(-c5ccccc5)c4)c(-c4cccc(-c5ccccc5)c4)c3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is BTZGDDKVVJCCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2O2/c1-46-39-27-36-26-38(31-18-10-5-11-19-31)45-43(37(36)28-40(39)47-2)41(34-22-12-20-32(24-34)29-14-6-3-7-15-29)42(44-45)35-23-13-21-33(25-35)30-16-8-4-9-17-30/h3-28H,1-2H3.
What are the key properties of 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline?
8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 608.74 g/mol, XLogP of 10.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-5-phenyl-1,2-bis(3-phenylphenyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).