3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]

C33H32N4 — CID 11834992

IUPAC3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]
SMILESc1ccc(N2N3CCc4ccccc4C3CC23CC2c4ccccc4CCN2N3c2ccccc2)cc1
InChIInChI=1S/C33H32N4/c1-3-13-27(14-4-1)36-33(23-31-29-17-9-7-11-25(29)19-21-34(31)36)24-32-30-18-10-8-12-26(30)20-22-35(32)37(33)28-15-5-2-6-16-28/h1-18,31-32H,19-24H2
InChIKeyAZGOACQSSWWFGO-UHFFFAOYSA-N
MW484.65 g/mol
LogP6.53
Rot. Bonds2

About 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]

3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline] (PubChem CID 11834992) has the molecular formula C33H32N4 and a molecular weight of 484.65 g/mol. Its IUPAC name is 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline].

Molecular Properties

Compound Name3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]
PubChem CID11834992
Molecular FormulaC33H32N4
Molecular Weight484.65 g/mol
Exact Mass484.26
IUPAC Name3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]
SMILESc1ccc(N2N3CCc4ccccc4C3CC23CC2c4ccccc4CCN2N3c2ccccc2)cc1
InChIInChI=1S/C33H32N4/c1-3-13-27(14-4-1)36-33(23-31-29-17-9-7-11-25(29)19-21-34(31)36)24-32-30-18-10-8-12-26(30)20-22-35(32)37(33)28-15-5-2-6-16-28/h1-18,31-32H,19-24H2
InChIKeyAZGOACQSSWWFGO-UHFFFAOYSA-N
XLogP6.53
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240
1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
(2S,11bR)-2-ethenyl-2-methyl-1,6,7,11b-tetrahydro-[1,3]oxazino[4,3-a]isoquinolin-4-one
CID 135021309
1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 132543559
(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 155511171
dimethyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate
CID 11186826
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-(2-methylbutan-2-yl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 162415451
(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 86337762

Frequently Asked Questions

What is the IUPAC name of 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]?
The IUPAC name of 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline] (CID 11834992) is 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline].
What is the SMILES notation for 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]?
The canonical SMILES for 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline] is c1ccc(N2N3CCc4ccccc4C3CC23CC2c4ccccc4CCN2N3c2ccccc2)cc1.
What is the InChIKey of 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]?
The InChIKey is AZGOACQSSWWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4/c1-3-13-27(14-4-1)36-33(23-31-29-17-9-7-11-25(29)19-21-34(31)36)24-32-30-18-10-8-12-26(30)20-22-35(32)37(33)28-15-5-2-6-16-28/h1-18,31-32H,19-24H2.
What are the key properties of 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]?
3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline] has a molecular weight of 484.65 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline] is sourced from PubChem (CID 11834992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).