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

C131H153Br5F3N6O3W3-3 — CID 157282856

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

bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane (PubChem CID 157282856) has the molecular formula C131H153Br5F3N6O3W3-3 and a molecular weight of 2867.74 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);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane.

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);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane
• PubChem CID: 157282856
• Molecular Formula: C131H153Br5F3N6O3W3-3
• Molecular Weight: 2867.74 g/mol
• Exact Mass: 2861.64
• IUPAC Name: bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane
• SMILES: C.C.C.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.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
• InChI: InChI=1S/C30H21BrO.2C21H22Br2O.2C8H9N.C7H4F3N.3C6H8N.3C5H10.3CH4.3W/c31-29-25(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;8-7(9,10)5-3-1-2-4-6(5)11;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;;;;/h1-20,32H;2*10-11,24H,2-9H2,1H3;2*3-5H,1-2H3;1-4H;3*3-4H,1-2H3;3*1H,2-4H3;3*1H4;;;/q;;;;;;3*-1
• InChIKey: UMKIYPXKDCPBMO-UHFFFAOYSA-N
• XLogP: 40.36
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2867.74
LogP ≤ 5	40.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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

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);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane (CID 157282856) is bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane.

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

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);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane is C.C.C.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.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.

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

The InChIKey is UMKIYPXKDCPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21BrO.2C21H22Br2O.2C8H9N.C7H4F3N.3C6H8N.3C5H10.3CH4.3W/c31-29-25(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;8-7(9,10)5-3-1-2-4-6(5)11;3*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;;;;/h1-20,32H;2*10-11,24H,2-9H2,1H3;2*3-5H,1-2H3;1-4H;3*3-4H,1-2H3;3*1H,2-4H3;3*1H4;;;/q;;;;;;3*-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);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane?

bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane has a molecular weight of 2867.74 g/mol, XLogP of 40.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 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);4-bromo-2,3,5,6-tetraphenylphenol;bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminotungsten;tris(2,5-dimethylpyrrol-1-ide);methane is sourced from PubChem (CID 157282856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).