5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline

C28H24N2O — CID 50923844

IUPAC5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline
SMILESCOc1ccc(-c2c(-c3ccccc3)n3nc4c(c3c3ccccc23)CCCC4)cc1
InChIInChI=1S/C28H24N2O/c1-31-21-17-15-19(16-18-21)26-22-11-5-6-12-23(22)28-24-13-7-8-14-25(24)29-30(28)27(26)20-9-3-2-4-10-20/h2-6,9-12,15-18H,7-8,13-14H2,1H3
InChIKeyPIOFJXTYGUUTKB-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.71
Rot. Bonds3

About 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline

5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline (PubChem CID 50923844) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline
PubChem CID50923844
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline
SMILESCOc1ccc(-c2c(-c3ccccc3)n3nc4c(c3c3ccccc23)CCCC4)cc1
InChIInChI=1S/C28H24N2O/c1-31-21-17-15-19(16-18-21)26-22-11-5-6-12-23(22)28-24-13-7-8-14-25(24)29-30(28)27(26)20-9-3-2-4-10-20/h2-6,9-12,15-18H,7-8,13-14H2,1H3
InChIKeyPIOFJXTYGUUTKB-UHFFFAOYSA-N
XLogP6.71
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline?
The IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline (CID 50923844) is 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline?
The canonical SMILES for 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline is COc1ccc(-c2c(-c3ccccc3)n3nc4c(c3c3ccccc23)CCCC4)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline?
The InChIKey is PIOFJXTYGUUTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-31-21-17-15-19(16-18-21)26-22-11-5-6-12-23(22)28-24-13-7-8-14-25(24)29-30(28)27(26)20-9-3-2-4-10-20/h2-6,9-12,15-18H,7-8,13-14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline?
5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline has a molecular weight of 404.51 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline is sourced from PubChem (CID 50923844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).