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

C77H87Br4Cl2F3Mo2N4O2-2 — CID 161211592

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

bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide) (PubChem CID 161211592) has the molecular formula C77H87Br4Cl2F3Mo2N4O2-2 and a molecular weight of 1739.96 g/mol. Its IUPAC name is bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide).

Molecular Properties

• Compound Name: bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide)
• PubChem CID: 161211592
• Molecular Formula: C77H87Br4Cl2F3Mo2N4O2-2
• Molecular Weight: 1739.96 g/mol
• Exact Mass: 1738.10
• IUPAC Name: bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide)
• SMILES: CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
• InChI: InChI=1S/2C21H22Br2O.C7H4F3N.C6H3Cl2N.2C6H8N.2C5H10.2Mo/c2*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;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;2*1-5(2,3)4;;/h2*10-11,24H,2-9H2,1H3;1-4H;1-3H;2*3-4H,1-2H3;2*1H,2-4H3;;/q;;;;2*-1
• InChIKey: RNGFZSKWFOMSTH-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 93.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1739.96
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide) (CID 161211592) is bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide).

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

The canonical SMILES for bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide) is CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[Mo]=Nc1ccccc1C(F)(F)F.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.

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

The InChIKey is RNGFZSKWFOMSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22Br2O.C7H4F3N.C6H3Cl2N.2C6H8N.2C5H10.2Mo/c2*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;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;2*1-5(2,3)4;;/h2*10-11,24H,2-9H2,1H3;1-4H;1-3H;2*3-4H,1-2H3;2*1H,2-4H3;;/q;;;;2*-1;;;;.

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

bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide) has a molecular weight of 1739.96 g/mol, XLogP of 25.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide) is sourced from PubChem (CID 161211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).