3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline

C49H69N3 — CID 144898406

IUPAC3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline
SMILESCC.CC1(C)CCC(C)(C)c2cc(-c3cc4c(cn3)C(C)(C)CCC4(C)C)ccc21.Cc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)c(C)n1
InChIInChI=1S/C27H37N.C20H26N2.C2H6/c1-24(2)11-12-25(3,4)20-15-18(9-10-19(20)24)23-16-21-22(17-28-23)27(7,8)14-13-26(21,5)6;1-13-7-8-15(14(2)22-13)18-11-16-17(12-21-18)20(5,6)10-9-19(16,3)4;1-2/h9-10,15-17H,11-14H2,1-8H3;7-8,11-12H,9-10H2,1-6H3;1-2H3
InChIKeyWFSCRVNWUYPHCY-UHFFFAOYSA-N
MW700.11 g/mol
LogP13.58
Rot. Bonds2

About 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline

3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline (PubChem CID 144898406) has the molecular formula C49H69N3 and a molecular weight of 700.11 g/mol. Its IUPAC name is 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline
PubChem CID144898406
Molecular FormulaC49H69N3
Molecular Weight700.11 g/mol
Exact Mass699.55
IUPAC Name3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline
SMILESCC.CC1(C)CCC(C)(C)c2cc(-c3cc4c(cn3)C(C)(C)CCC4(C)C)ccc21.Cc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)c(C)n1
InChIInChI=1S/C27H37N.C20H26N2.C2H6/c1-24(2)11-12-25(3,4)20-15-18(9-10-19(20)24)23-16-21-22(17-28-23)27(7,8)14-13-26(21,5)6;1-13-7-8-15(14(2)22-13)18-11-16-17(12-21-18)20(5,6)10-9-19(16,3)4;1-2/h9-10,15-17H,11-14H2,1-8H3;7-8,11-12H,9-10H2,1-6H3;1-2H3
InChIKeyWFSCRVNWUYPHCY-UHFFFAOYSA-N
XLogP13.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.11
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline with MolForge

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Related Compounds

5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
CID 129074693
2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine
CID 157110491
3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 170184396
5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
CID 140789925
6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-3-amine
CID 116525884
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
5-(2,6-dimethylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 155602203
trimethyl-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]silane
CID 156686707
2-(2,6-dimethyl-3-pyridinyl)-4,5-bis(trideuteriomethyl)pyridine
CID 169300686
2-piperidin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 53250882
5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine
CID 140789867
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline?
The IUPAC name of 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline (CID 144898406) is 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline.
What is the SMILES notation for 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline?
The canonical SMILES for 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline is CC.CC1(C)CCC(C)(C)c2cc(-c3cc4c(cn3)C(C)(C)CCC4(C)C)ccc21.Cc1ccc(-c2cc3c(cn2)C(C)(C)CCC3(C)C)c(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline?
The InChIKey is WFSCRVNWUYPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N.C20H26N2.C2H6/c1-24(2)11-12-25(3,4)20-15-18(9-10-19(20)24)23-16-21-22(17-28-23)27(7,8)14-13-26(21,5)6;1-13-7-8-15(14(2)22-13)18-11-16-17(12-21-18)20(5,6)10-9-19(16,3)4;1-2/h9-10,15-17H,11-14H2,1-8H3;7-8,11-12H,9-10H2,1-6H3;1-2H3.
What are the key properties of 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline?
3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline has a molecular weight of 700.11 g/mol, XLogP of 13.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline is sourced from PubChem (CID 144898406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).