3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum

C112H139Br2Cl4MoN6O5W2-3 — CID 158670601

About 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum (PubChem CID 158670601) has the molecular formula C112H139Br2Cl4MoN6O5W2-3 and a molecular weight of 2414.62 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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum.

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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
• PubChem CID: 158670601
• Molecular Formula: C112H139Br2Cl4MoN6O5W2-3
• Molecular Weight: 2414.62 g/mol
• Exact Mass: 2411.60
• IUPAC Name: 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.COCc1cccc(C(C)(C)C)c1O.COCc1cccc(C(C)(C)C)c1O.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
• InChI: InChI=1S/C21H22Br2O.C12H17N.2C12H18O2.2C10H12.2C6H3Cl2N.3C6H8N.C5H10.Mo.2W/c1-12-17(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;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-12(2,3)10-7-5-6-9(8-14-4)11(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;;;/h10-11,24H,2-9H2,1H3;5-9H,1-4H3;2*5-7,13H,8H2,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3*3-4H,1-2H3;1H,2-4H3;;;/q;;;;;;;;3*-1
• InChIKey: RVYHJMHVZHBTCL-UHFFFAOYSA-N
• XLogP: 33.13
• TPSA: 158.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2414.62
LogP ≤ 5	33.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum (CID 158670601) is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum.

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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.COCc1cccc(C(C)(C)C)c1O.COCc1cccc(C(C)(C)C)c1O.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.

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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

The InChIKey is RVYHJMHVZHBTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Br2O.C12H17N.2C12H18O2.2C10H12.2C6H3Cl2N.3C6H8N.C5H10.Mo.2W/c1-12-17(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;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-12(2,3)10-7-5-6-9(8-14-4)11(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5(2,3)4;;;/h10-11,24H,2-9H2,1H3;5-9H,1-4H3;2*5-7,13H,8H2,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3*3-4H,1-2H3;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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum has a molecular weight of 2414.62 g/mol, XLogP of 33.13, 14 rotatable bonds, 3 hydrogen bond donors, and 8 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;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum is sourced from PubChem (CID 158670601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).