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-[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-dihydroquinoline

C80H105F3N6O — CID 139243650

IUPAC1,2,2,3-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-[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-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6cc(C7c8cc(C9c%10cc(C%11c%12ccccc%12N(C)C(C)(C)C%11C)ccc%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
InChIInChI=1S/C80H105F3N6O/c1-45-68(56-27-25-26-28-62(56)84(19)74(45,7)8)51-29-34-63-57(39-51)69(46(2)75(9,10)85(63)20)52-30-35-64-58(40-52)70(47(3)76(11,12)86(64)21)53-31-36-65-59(41-53)71(48(4)77(13,14)87(65)22)54-32-37-66-60(42-54)72(49(5)78(15,16)88(66)23)55-33-38-67-61(43-55)73(90-44-80(81,82)83)50(6)79(17,18)89(67)24/h25-43,45-50,68-73H,44H2,1-24H3
InChIKeyIZUCEMOMHMTZTR-UHFFFAOYSA-N
MW1223.75 g/mol
LogP19.15
Rot. Bonds7

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-[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-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-[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-dihydroquinoline (PubChem CID 139243650) has the molecular formula C80H105F3N6O and a molecular weight of 1223.75 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-[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-dihydroquinoline.

Molecular Properties

Compound Name1,2,2,3-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-[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-dihydroquinoline
PubChem CID139243650
Molecular FormulaC80H105F3N6O
Molecular Weight1223.75 g/mol
Exact Mass1222.83
IUPAC Name1,2,2,3-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-[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-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6cc(C7c8cc(C9c%10cc(C%11c%12ccccc%12N(C)C(C)(C)C%11C)ccc%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
InChIInChI=1S/C80H105F3N6O/c1-45-68(56-27-25-26-28-62(56)84(19)74(45,7)8)51-29-34-63-57(39-51)69(46(2)75(9,10)85(63)20)52-30-35-64-58(40-52)70(47(3)76(11,12)86(64)21)53-31-36-65-59(41-53)71(48(4)77(13,14)87(65)22)54-32-37-66-60(42-54)72(49(5)78(15,16)88(66)23)55-33-38-67-61(43-55)73(90-44-80(81,82)83)50(6)79(17,18)89(67)24/h25-43,45-50,68-73H,44H2,1-24H3
InChIKeyIZUCEMOMHMTZTR-UHFFFAOYSA-N
XLogP19.15
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms90
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.75
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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-[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-dihydroquinoline with MolForge

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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-[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-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-[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-dihydroquinoline (CID 139243650) 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-[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-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-[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-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-[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-dihydroquinoline is CC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6cc(C7c8cc(C9c%10cc(C%11c%12ccccc%12N(C)C(C)(C)C%11C)ccc%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-[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-dihydroquinoline?
The InChIKey is IZUCEMOMHMTZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H105F3N6O/c1-45-68(56-27-25-26-28-62(56)84(19)74(45,7)8)51-29-34-63-57(39-51)69(46(2)75(9,10)85(63)20)52-30-35-64-58(40-52)70(47(3)76(11,12)86(64)21)53-31-36-65-59(41-53)71(48(4)77(13,14)87(65)22)54-32-37-66-60(42-54)72(49(5)78(15,16)88(66)23)55-33-38-67-61(43-55)73(90-44-80(81,82)83)50(6)79(17,18)89(67)24/h25-43,45-50,68-73H,44H2,1-24H3.
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-[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-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-[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-dihydroquinoline has a molecular weight of 1223.75 g/mol, XLogP of 19.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-[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-dihydroquinoline is sourced from PubChem (CID 139243650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).