Bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide)

C₁₇₆H₁₈₄Br₆F₆N₈O₄W₄-4 — CID 159480953

About Bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide) (PubChem CID 159480953) has the molecular formula C₁₇₆H₁₈₄Br₆F₆N₈O₄W₄-4 and a molecular weight of 3804.23 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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide)
• PubChem CID: 159480953
• Molecular Formula: C₁₇₆H₁₈₄Br₆F₆N₈O₄W₄-4
• Molecular Weight: 3804.23 g/mol
• Exact Mass: 3796.75
• IUPAC Name: bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide)
• SMILES: CC(C)(C)C=[W]=Nc1ccccc1C(F)(F)F.CC(C)(C)C=[W]=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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)C.Cc1cccc(C)c1N=[W]=CC(C)(C)C.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1
• InChI: InChI=1S/2C30H21BrO.2C21H22Br2O.2C8H9N.2C7H4F3N.4C6H8N.4C5H10.4W/c2*31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;2*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*1-6-4-3-5-7(2)8(6)9;2*8-7(9,10)5-3-1-2-4-6(5)11;4*1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h2*1-20,32H;2*10-11,24H,2-9H2,1H3;2*3-5H,1-2H3;2*1-4H;4*3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;4*-1
• InChIKey: SMRZVYHHQRPAKX-UHFFFAOYSA-N
• XLogP: 52.99
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3804.23
LogP ≤ 5	52.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide) (CID 159480953) is bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide) is CC(C)(C)C=[W]=Nc1ccccc1C(F)(F)F.CC(C)(C)C=[W]=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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[W]=CC(C)(C)C.Cc1cccc(C)c1N=[W]=CC(C)(C)C.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.

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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide)?

The InChIKey is SMRZVYHHQRPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H21BrO.2C21H22Br2O.2C8H9N.2C7H4F3N.4C6H8N.4C5H10.4W/c2*31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;2*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*1-6-4-3-5-7(2)8(6)9;2*8-7(9,10)5-3-1-2-4-6(5)11;4*1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h2*1-20,32H;2*10-11,24H,2-9H2,1H3;2*3-5H,1-2H3;2*1-4H;4*3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;4*-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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide) has a molecular weight of 3804.23 g/mol, XLogP of 52.99, 14 rotatable bonds, 4 hydrogen bond donors, and 8 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);bis(4-bromo-2,3,5,6-tetraphenylphenol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten);tetrakis(2,5-dimethylpyrrol-1-ide) is sourced from PubChem (CID 159480953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159480953 — identifiers, structure, computed properties (public domain)

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