5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline

C36H24N2S — CID 90297173

IUPAC5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc2cc(-c3nn4c(C5CC5)cc5ccccc5c4c3-c3ccc4c(c3)sc3ccccc34)ccc2c1
InChIInChI=1S/C36H24N2S/c1-2-8-24-19-27(16-13-22(24)7-1)35-34(26-17-18-30-29-11-5-6-12-32(29)39-33(30)21-26)36-28-10-4-3-9-25(28)20-31(23-14-15-23)38(36)37-35/h1-13,16-21,23H,14-15H2
InChIKeyQILFFDIARIHLTA-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.22
Rot. Bonds3

About 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline

5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297173) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
PubChem CID90297173
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc2cc(-c3nn4c(C5CC5)cc5ccccc5c4c3-c3ccc4c(c3)sc3ccccc34)ccc2c1
InChIInChI=1S/C36H24N2S/c1-2-8-24-19-27(16-13-22(24)7-1)35-34(26-17-18-30-29-11-5-6-12-32(29)39-33(30)21-26)36-28-10-4-3-9-25(28)20-31(23-14-15-23)38(36)37-35/h1-13,16-21,23H,14-15H2
InChIKeyQILFFDIARIHLTA-UHFFFAOYSA-N
XLogP10.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-dibenzothiophen-3-yl-8-fluoro-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297618
7-(10-naphthalen-2-ylanthracen-9-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122415909
2-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927995
N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 90297166
2-[3-[2-(4-dibenzothiophen-3-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928167
5-cyclopropyl-8-fluoro-2-(5-naphthalen-1-ylthiophen-2-yl)-1-phenylpyrazolo[5,1-a]isoquinoline
CID 90297630
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427036
4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
1-[3-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927872
6-(10-naphthalen-2-ylanthracen-9-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122427429
4-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130186438
18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 163943562

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline (CID 90297173) is 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline is c1ccc2cc(-c3nn4c(C5CC5)cc5ccccc5c4c3-c3ccc4c(c3)sc3ccccc34)ccc2c1.
What is the InChIKey of 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
The InChIKey is QILFFDIARIHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-2-8-24-19-27(16-13-22(24)7-1)35-34(26-17-18-30-29-11-5-6-12-32(29)39-33(30)21-26)36-28-10-4-3-9-25(28)20-31(23-14-15-23)38(36)37-35/h1-13,16-21,23H,14-15H2.
What are the key properties of 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline has a molecular weight of 516.67 g/mol, XLogP of 10.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-dibenzothiophen-3-yl-2-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).