1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene

C64H64Br2O16 — CID 46926498

About 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene

1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene (PubChem CID 46926498) has the molecular formula C64H64Br2O16 and a molecular weight of 1249.01 g/mol. Its IUPAC name is 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene.

Molecular Properties

• Compound Name: 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene
• PubChem CID: 46926498
• Molecular Formula: C64H64Br2O16
• Molecular Weight: 1249.01 g/mol
• Exact Mass: 1246.26
• IUPAC Name: 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene
• SMILES: COc1cc(Br)c(-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2Br)cc1OC
• InChI: InChI=1S/C64H64Br2O16/c1-67-49-17-33(35(19-51(49)69-3)37-21-53(71-5)55(73-7)23-39(37)41-25-57(75-9)59(77-11)27-43(41)45-29-61(79-13)63(81-15)31-47(45)65)34-18-50(68-2)52(70-4)20-36(34)38-22-54(72-6)56(74-8)24-40(38)42-26-58(76-10)60(78-12)28-44(42)46-30-62(80-14)64(82-16)32-48(46)66/h17-32H,1-16H3
• InChIKey: SCDPCXRRSCRIJH-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1249.01
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?

The IUPAC name of 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene (CID 46926498) is 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene.

What is the SMILES notation for 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?

The canonical SMILES for 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene is COc1cc(Br)c(-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2Br)cc1OC.

What is the InChIKey of 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?

The InChIKey is SCDPCXRRSCRIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64Br2O16/c1-67-49-17-33(35(19-51(49)69-3)37-21-53(71-5)55(73-7)23-39(37)41-25-57(75-9)59(77-11)27-43(41)45-29-61(79-13)63(81-15)31-47(45)65)34-18-50(68-2)52(70-4)20-36(34)38-22-54(72-6)56(74-8)24-40(38)42-26-58(76-10)60(78-12)28-44(42)46-30-62(80-14)64(82-16)32-48(46)66/h17-32H,1-16H3.

What are the key properties of 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene?

1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene has a molecular weight of 1249.01 g/mol, XLogP of 15.02, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-[2-[2-[2-[2-[2-[2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxyphenyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 46926498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).