2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine

C26H28N2 — CID 157110491

IUPAC2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine
SMILESCc1ccc2c(n1)Cc1c(-c3cc4c(cn3)C(C)(C)CCC4(C)C)cccc1-2
InChIInChI=1S/C26H28N2/c1-16-9-10-19-17-7-6-8-18(20(17)13-24(19)28-16)23-14-21-22(15-27-23)26(4,5)12-11-25(21,2)3/h6-10,14-15H,11-13H2,1-5H3
InChIKeyHPYMRMWNBNVAIT-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.37
Rot. Bonds1

About 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine

2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine (PubChem CID 157110491) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine
PubChem CID157110491
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine
SMILESCc1ccc2c(n1)Cc1c(-c3cc4c(cn3)C(C)(C)CCC4(C)C)cccc1-2
InChIInChI=1S/C26H28N2/c1-16-9-10-19-17-7-6-8-18(20(17)13-24(19)28-16)23-14-21-22(15-27-23)26(4,5)12-11-25(21,2)3/h6-10,14-15H,11-13H2,1-5H3
InChIKeyHPYMRMWNBNVAIT-UHFFFAOYSA-N
XLogP6.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine with MolForge

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Related Compounds

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
3-(2,4-dimethylphenyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 170184396
5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
CID 129074693
5,5,8,8-tetramethyl-3-(3-phenylphenyl)-6,7-dihydroisoquinoline
CID 140789925
iridium;5,5,8,8-tetramethyl-3-phenyl-6,7-dihydroisoquinoline
CID 140790056
2,6,7-trimethyl-9H-indeno[2,1-b]pyridine
CID 59560989
1,1,4,4-tetramethyl-10-pyridin-2-yl-3,11-dihydro-2H-indeno[1,2-c]quinoline
CID 157110490
5-(2,6-dimethylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 155602203
5,5,7,7,9,9-hexamethyl-3-phenyl-6,8-dihydrocyclohepta[c]pyridine
CID 140789867
3-[3-[1,4-diethyl-3-[2-(2-methylphenyl)pyridin-1-ium-1-yl]cyclobut-2-en-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 123929728
2-methyl-6-(2,2,5,5-tetramethylcyclopentyl)pyridine
CID 143058415
2-piperidin-4-yl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 53250882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine?
The IUPAC name of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine (CID 157110491) is 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine.
What is the SMILES notation for 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine?
The canonical SMILES for 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine is Cc1ccc2c(n1)Cc1c(-c3cc4c(cn3)C(C)(C)CCC4(C)C)cccc1-2.
What is the InChIKey of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine?
The InChIKey is HPYMRMWNBNVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-16-9-10-19-17-7-6-8-18(20(17)13-24(19)28-16)23-14-21-22(15-27-23)26(4,5)12-11-25(21,2)3/h6-10,14-15H,11-13H2,1-5H3.
What are the key properties of 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine?
2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine has a molecular weight of 368.52 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(5,5,8,8-tetramethyl-6,7-dihydroisoquinolin-3-yl)-9H-indeno[2,1-b]pyridine is sourced from PubChem (CID 157110491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).