3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene

C69H101Br2MoN2O- — CID 157140990

About 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene (PubChem CID 157140990) has the molecular formula C69H101Br2MoN2O- and a molecular weight of 1230.33 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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene.

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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene
• PubChem CID: 157140990
• Molecular Formula: C69H101Br2MoN2O-
• Molecular Weight: 1230.33 g/mol
• Exact Mass: 1229.53
• IUPAC Name: 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene
• SMILES: C.C/C=C\CCCCCCCC.C=CC.C=CCCCCCCCC.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccccc1N=[Mo]=CC(C)(C)c1ccccc1
• InChI: InChI=1S/C21H22Br2O.C11H22.C10H12.C10H20.C7H7N.C6H8N.C3H6.CH4.Mo/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;1-3-5-7-9-11-10-8-6-4-2;1-10(2,3)9-7-5-4-6-8-9;1-3-5-7-9-10-8-6-4-2;1-6-4-2-3-5-7(6)8;1-5-3-4-6(2)7-5;1-3-2;;/h10-11,24H,2-9H2,1H3;3,5H,4,6-11H2,1-2H3;1,4-8H,2-3H3;3H,1,4-10H2,2H3;2-5H,1H3;3-4H,1-2H3;3H,1H2,2H3;1H4;/q;;;;;-1;;;/b;5-3-
• InChIKey: OWYIAHJWWBEEOK-DGXSMTFOSA-N
• XLogP: 22.65
• TPSA: 46.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 18
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.33
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene?

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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene (CID 157140990) is 3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene.

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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene?

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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene is C.C/C=C\CCCCCCCC.C=CC.C=CCCCCCCCC.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccccc1N=[Mo]=CC(C)(C)c1ccccc1.

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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene?

The InChIKey is OWYIAHJWWBEEOK-DGXSMTFOSA-N. The full InChI is InChI=1S/C21H22Br2O.C11H22.C10H12.C10H20.C7H7N.C6H8N.C3H6.CH4.Mo/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;1-3-5-7-9-11-10-8-6-4-2;1-10(2,3)9-7-5-4-6-8-9;1-3-5-7-9-10-8-6-4-2;1-6-4-2-3-5-7(6)8;1-5-3-4-6(2)7-5;1-3-2;;/h10-11,24H,2-9H2,1H3;3,5H,4,6-11H2,1-2H3;1,4-8H,2-3H3;3H,1,4-10H2,2H3;2-5H,1H3;3-4H,1-2H3;3H,1H2,2H3;1H4;/q;;;;;-1;;;/b;5-3-;;;;;;;.

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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene?

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene has a molecular weight of 1230.33 g/mol, XLogP of 22.65, 18 rotatable bonds, 1 hydrogen bond donors, and 2 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;dec-1-ene;2,5-dimethylpyrrol-1-ide;methane;(2-methylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;prop-1-ene;(Z)-undec-2-ene is sourced from PubChem (CID 157140990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).