1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline

C94H124F3N7O — CID 139243654

About 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline

1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (PubChem CID 139243654) has the molecular formula C94H124F3N7O and a molecular weight of 1425.07 g/mol. Its IUPAC name is 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline.

Molecular Properties

• Compound Name: 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
• PubChem CID: 139243654
• Molecular Formula: C94H124F3N7O
• Molecular Weight: 1425.07 g/mol
• Exact Mass: 1423.98
• IUPAC Name: 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
• SMILES: Cc1ccc2c(c1)C(c1ccc3c(c1)C(c1ccc4c(c1)C(c1ccc5c(c1)C(c1ccc6c(c1)C(c1ccc7c(c1)C(c1ccc8c(c1)C(OCC(F)(F)F)C(C)C(C)(C)N8C)C(C)C(C)(C)N7C)C(C)C(C)(C)N6C)C(C)C(C)(C)N5C)C(C)C(C)(C)N4C)C(C)C(C)(C)N3C)C(C)C(C)(C)N2C
• InChI: InChI=1S/C94H124F3N7O/c1-52-30-37-73-66(44-52)80(53(2)87(9,10)98(73)23)60-31-38-74-67(45-60)81(54(3)88(11,12)99(74)24)61-32-39-75-68(46-61)82(55(4)89(13,14)100(75)25)62-33-40-76-69(47-62)83(56(5)90(15,16)101(76)26)63-34-41-77-70(48-63)84(57(6)91(17,18)102(77)27)64-35-42-78-71(49-64)85(58(7)92(19,20)103(78)28)65-36-43-79-72(50-65)86(105-51-94(95,96)97)59(8)93(21,22)104(79)29/h30-50,53-59,80-86H,51H2,1-29H3
• InChIKey: ZRUIHYNXQYHOMN-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 31.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.07
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (CID 139243654) is 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline.

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

The canonical SMILES for 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is Cc1ccc2c(c1)C(c1ccc3c(c1)C(c1ccc4c(c1)C(c1ccc5c(c1)C(c1ccc6c(c1)C(c1ccc7c(c1)C(c1ccc8c(c1)C(OCC(F)(F)F)C(C)C(C)(C)N8C)C(C)C(C)(C)N7C)C(C)C(C)(C)N6C)C(C)C(C)(C)N5C)C(C)C(C)(C)N4C)C(C)C(C)(C)N3C)C(C)C(C)(C)N2C.

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

The InChIKey is ZRUIHYNXQYHOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H124F3N7O/c1-52-30-37-73-66(44-52)80(53(2)87(9,10)98(73)23)60-31-38-74-67(45-60)81(54(3)88(11,12)99(74)24)61-32-39-75-68(46-61)82(55(4)89(13,14)100(75)25)62-33-40-76-69(47-62)83(56(5)90(15,16)101(76)26)63-34-41-77-70(48-63)84(57(6)91(17,18)102(77)27)64-35-42-78-71(49-64)85(58(7)92(19,20)103(78)28)65-36-43-79-72(50-65)86(105-51-94(95,96)97)59(8)93(21,22)104(79)29/h30-50,53-59,80-86H,51H2,1-29H3.

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

1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline has a molecular weight of 1425.07 g/mol, XLogP of 22.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,2,3,6-pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-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-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is sourced from PubChem (CID 139243654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).