bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)

C129H128Br4F11Mo3N6O3-3 — CID 158935169

About bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)

bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum) (PubChem CID 158935169) has the molecular formula C129H128Br4F11Mo3N6O3-3 and a molecular weight of 2626.90 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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum).

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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)
• PubChem CID: 158935169
• Molecular Formula: C129H128Br4F11Mo3N6O3-3
• Molecular Weight: 2626.90 g/mol
• Exact Mass: 2627.38
• IUPAC Name: bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)
• SMILES: CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
• InChI: InChI=1S/2C21H22Br2O.C19H16O.3C10H12.2C7H4F3N.C6F5N.3C6H8N.3Mo/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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;3*1-10(2,3)9-7-5-4-6-8-9;2*8-7(9,10)5-3-1-2-4-6(5)11;7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-5-3-4-6(2)7-5;;;/h2*10-11,24H,2-9H2,1H3;2-13,20H,1H3;3*1,4-8H,2-3H3;2*1-4H;;3*3-4H,1-2H3;;;/q;;;;;;;;;3*-1
• InChIKey: SCXWJAPUCHUOPU-UHFFFAOYSA-N
• XLogP: 37.94
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2626.90
LogP ≤ 5	37.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)?

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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum) (CID 158935169) is bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum).

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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)?

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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum) is CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)?

The InChIKey is SCXWJAPUCHUOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22Br2O.C19H16O.3C10H12.2C7H4F3N.C6F5N.3C6H8N.3Mo/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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;3*1-10(2,3)9-7-5-4-6-8-9;2*8-7(9,10)5-3-1-2-4-6(5)11;7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-5-3-4-6(2)7-5;;;/h2*10-11,24H,2-9H2,1H3;2-13,20H,1H3;3*1,4-8H,2-3H3;2*1-4H;;3*3-4H,1-2H3;;;/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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum)?

bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum) has a molecular weight of 2626.90 g/mol, XLogP of 37.94, 13 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);tris(2,5-dimethylpyrrol-1-ide);4-methyl-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis((2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum) is sourced from PubChem (CID 158935169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).