1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline

C54H71F3N4O — CID 139243648

About 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline

1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (PubChem CID 139243648) has the molecular formula C54H71F3N4O and a molecular weight of 849.18 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline.

Molecular Properties

• Compound Name: 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
• PubChem CID: 139243648
• Molecular Formula: C54H71F3N4O
• Molecular Weight: 849.18 g/mol
• Exact Mass: 848.56
• IUPAC Name: 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
• SMILES: CC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6cc(C7c8ccccc8N(C)C(C)(C)C7C)ccc6N(C)C(C)(C)C5C)ccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
• InChI: InChI=1S/C54H71F3N4O/c1-31-46(38-19-17-18-20-42(38)58(13)50(31,5)6)35-21-24-43-39(27-35)47(32(2)51(7,8)59(43)14)36-22-25-44-40(28-36)48(33(3)52(9,10)60(44)15)37-23-26-45-41(29-37)49(62-30-54(55,56)57)34(4)53(11,12)61(45)16/h17-29,31-34,46-49H,30H2,1-16H3
• InChIKey: WBELHZSVAOMHER-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.18
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?

The IUPAC name of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (CID 139243648) is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline.

What is the SMILES notation for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?

The canonical SMILES for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is CC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6cc(C7c8ccccc8N(C)C(C)(C)C7C)ccc6N(C)C(C)(C)C5C)ccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C.

What is the InChIKey of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?

The InChIKey is WBELHZSVAOMHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H71F3N4O/c1-31-46(38-19-17-18-20-42(38)58(13)50(31,5)6)35-21-24-43-39(27-35)47(32(2)51(7,8)59(43)14)36-22-25-44-40(28-36)48(33(3)52(9,10)60(44)15)37-23-26-45-41(29-37)49(62-30-54(55,56)57)34(4)53(11,12)61(45)16/h17-29,31-34,46-49H,30H2,1-16H3.

What are the key properties of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?

1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline has a molecular weight of 849.18 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is sourced from PubChem (CID 139243648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).