3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline

C23H27N — CID 171590547

IUPAC3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESCC1(C)C=CC(C)(C)c2c(-c3cc4c(cn3)CCCC4)cccc21
InChIInChI=1S/C23H27N/c1-22(2)12-13-23(3,4)21-18(10-7-11-19(21)22)20-14-16-8-5-6-9-17(16)15-24-20/h7,10-15H,5-6,8-9H2,1-4H3
InChIKeyLOBHKEHHFYYQPT-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.75
Rot. Bonds1

About 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline

3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 171590547) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID171590547
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESCC1(C)C=CC(C)(C)c2c(-c3cc4c(cn3)CCCC4)cccc21
InChIInChI=1S/C23H27N/c1-22(2)12-13-23(3,4)21-18(10-7-11-19(21)22)20-14-16-8-5-6-9-17(16)15-24-20/h7,10-15H,5-6,8-9H2,1-4H3
InChIKeyLOBHKEHHFYYQPT-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline
CID 140781526
3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline
CID 140711681
2-(9,9-dimethylfluoren-1-yl)-4-methylpyridine
CID 156655026
methanamine;3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 177051680
3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59465173
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene
CID 144914085
2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine
CID 157110491
4-(6,7,8,9,10,11-hexahydro-5H-cyclonona[c]pyridin-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 134178907
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 135190154
1,1,3,3-tetramethyl-5,6,7,8-tetrahydro-2H-cyclopenta[b]naphthalene
CID 139783545
3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline
CID 90808391

Frequently Asked Questions

What is the IUPAC name of 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline (CID 171590547) is 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline is CC1(C)C=CC(C)(C)c2c(-c3cc4c(cn3)CCCC4)cccc21.
What is the InChIKey of 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is LOBHKEHHFYYQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-22(2)12-13-23(3,4)21-18(10-7-11-19(21)22)20-14-16-8-5-6-9-17(16)15-24-20/h7,10-15H,5-6,8-9H2,1-4H3.
What are the key properties of 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline?
3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 317.48 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 171590547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).