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

C67H88F3N5O — CID 139243652

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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (PubChem CID 139243652) has the molecular formula C67H88F3N5O and a molecular weight of 1036.47 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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
• PubChem CID: 139243652
• Molecular Formula: C67H88F3N5O
• Molecular Weight: 1036.47 g/mol
• Exact Mass: 1035.69
• 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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
• SMILES: CC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6cc(C7c8cc(C9c%10ccccc%10N(C)C(C)(C)C9C)ccc8N(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/C67H88F3N5O/c1-38-57(47-23-21-22-24-52(47)71(16)62(38,6)7)43-25-29-53-48(33-43)58(39(2)63(8,9)72(53)17)44-26-30-54-49(34-44)59(40(3)64(10,11)73(54)18)45-27-31-55-50(35-45)60(41(4)65(12,13)74(55)19)46-28-32-56-51(36-46)61(76-37-67(68,69)70)42(5)66(14,15)75(56)20/h21-36,38-42,57-61H,37H2,1-20H3
• InChIKey: PRDOYZNNCAYTIO-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.47
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (CID 139243652) 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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is CC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6cc(C7c8cc(C9c%10ccccc%10N(C)C(C)(C)C9C)ccc8N(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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?

The InChIKey is PRDOYZNNCAYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H88F3N5O/c1-38-57(47-23-21-22-24-52(47)71(16)62(38,6)7)43-25-29-53-48(33-43)58(39(2)63(8,9)72(53)17)44-26-30-54-49(34-44)59(40(3)64(10,11)73(54)18)45-27-31-55-50(35-45)60(41(4)65(12,13)74(55)19)46-28-32-56-51(36-46)61(76-37-67(68,69)70)42(5)66(14,15)75(56)20/h21-36,38-42,57-61H,37H2,1-20H3.

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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline has a molecular weight of 1036.47 g/mol, XLogP of 16.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is sourced from PubChem (CID 139243652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).