3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol

C118H148Br2F6Mo3N7O3-3 — CID 159918895

About 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol (PubChem CID 159918895) has the molecular formula C118H148Br2F6Mo3N7O3-3 and a molecular weight of 2274.14 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol.

Molecular Properties

• Compound Name: 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol
• PubChem CID: 159918895
• Molecular Formula: C118H148Br2F6Mo3N7O3-3
• Molecular Weight: 2274.14 g/mol
• Exact Mass: 2276.71
• IUPAC Name: 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol
• SMILES: CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(C(F)(F)F)cc2c(c1-c1c(O)c(C(F)(F)F)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1cccc2cccnc12
• InChI: InChI=1S/C23H22F6O.C21H22Br2O.2C12H17N.C9H7NO.C8H9N.3C6H8N.3C5H10.3Mo/c1-12-17(22(24,25)26)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(21(20)30)23(27,28)29;1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;1-6-4-3-5-7(2)8(6)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h10-11,30H,2-9H2,1H3;10-11,24H,2-9H2,1H3;2*5-9H,1-4H3;1-6,11H;3-5H,1-2H3;3*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;3*-1
• InChIKey: RYEVGCCBIZADPI-UHFFFAOYSA-N
• XLogP: 34.94
• TPSA: 152.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2274.14
LogP ≤ 5	34.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol?

The IUPAC name of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol (CID 159918895) is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol.

What is the SMILES notation for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol?

The canonical SMILES for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol is CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(C(F)(F)F)cc2c(c1-c1c(O)c(C(F)(F)F)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Oc1cccc2cccnc12.

What is the InChIKey of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol?

The InChIKey is RYEVGCCBIZADPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F6O.C21H22Br2O.2C12H17N.C9H7NO.C8H9N.3C6H8N.3C5H10.3Mo/c1-12-17(22(24,25)26)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(21(20)30)23(27,28)29;1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;1-6-4-3-5-7(2)8(6)9;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;/h10-11,30H,2-9H2,1H3;10-11,24H,2-9H2,1H3;2*5-9H,1-4H3;1-6,11H;3-5H,1-2H3;3*3-4H,1-2H3;3*1H,2-4H3;;;/q;;;;;;3*-1;;;;;;.

What are the key properties of 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol?

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol has a molecular weight of 2274.14 g/mol, XLogP of 34.94, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);tris(2,5-dimethylpyrrol-1-ide);1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol;quinolin-8-ol is sourced from PubChem (CID 159918895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).