1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)

C194H245Br2IO16 — CID 159613218

About 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)

1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene) (PubChem CID 159613218) has the molecular formula C194H245Br2IO16 and a molecular weight of 3119.79 g/mol. Its IUPAC name is 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene).

Molecular Properties

• Compound Name: 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)
• PubChem CID: 159613218
• Molecular Formula: C194H245Br2IO16
• Molecular Weight: 3119.79 g/mol
• Exact Mass: 3115.58
• IUPAC Name: 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)
• SMILES: C.C.C.C.C.C.C.C.CC(CC(C)Oc1ccccc1Br)Oc1ccccc1Br.CI.COCOc1c(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)cc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c(O)c(-c2c3c(cc4c2CCCC4)CCCC3)c1
• InChI: InChI=1S/C63H72O6.C59H64O4.2C23H28O2.C17H18Br2O2.CH3I.8CH4/c1-40-31-54(62(66-38-64-5)56(33-40)60-48-23-11-7-19-44(48)36-45-20-8-12-24-49(45)60)52-27-15-17-29-58(52)68-42(3)35-43(4)69-59-30-18-16-28-53(59)55-32-41(2)34-57(63(55)67-39-65-6)61-50-25-13-9-21-46(50)37-47-22-10-14-26-51(47)61;1-36-29-50(58(60)52(31-36)56-44-21-9-5-17-40(44)34-41-18-6-10-22-45(41)56)48-25-13-15-27-54(48)62-38(3)33-39(4)63-55-28-16-14-26-49(55)51-30-37(2)32-53(59(51)61)57-46-23-11-7-19-42(46)35-43-20-8-12-24-47(43)57;2*1-16-11-12-22(25-15-24-2)21(13-16)23-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)23;1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19;1-2;;;;;;;;/h15-18,27-34,36-37,42-43H,7-14,19-26,35,38-39H2,1-6H3;13-16,25-32,34-35,38-39,60-61H,5-12,17-24,33H2,1-4H3;2*11-14H,3-10,15H2,1-2H3;3-10,12-13H,11H2,1-2H3;1H3;8*1H4/t42-,43-;38-,39-;;;;;;;;;;;;/m00............/s1
• InChIKey: MMYUAURKQBRJFS-MUYYRIOVSA-N
• XLogP: 52.38
• TPSA: 169.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 40
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3119.79
LogP ≤ 5	52.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)?

The IUPAC name of 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene) (CID 159613218) is 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene).

What is the SMILES notation for 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)?

The canonical SMILES for 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene) is C.C.C.C.C.C.C.C.CC(CC(C)Oc1ccccc1Br)Oc1ccccc1Br.CI.COCOc1c(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)cc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c(O)c(-c2c3c(cc4c2CCCC4)CCCC3)c1.

What is the InChIKey of 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)?

The InChIKey is MMYUAURKQBRJFS-MUYYRIOVSA-N. The full InChI is InChI=1S/C63H72O6.C59H64O4.2C23H28O2.C17H18Br2O2.CH3I.8CH4/c1-40-31-54(62(66-38-64-5)56(33-40)60-48-23-11-7-19-44(48)36-45-20-8-12-24-49(45)60)52-27-15-17-29-58(52)68-42(3)35-43(4)69-59-30-18-16-28-53(59)55-32-41(2)34-57(63(55)67-39-65-6)61-50-25-13-9-21-46(50)37-47-22-10-14-26-51(47)61;1-36-29-50(58(60)52(31-36)56-44-21-9-5-17-40(44)34-41-18-6-10-22-45(41)56)48-25-13-15-27-54(48)62-38(3)33-39(4)63-55-28-16-14-26-49(55)51-30-37(2)32-53(59(51)61)57-46-23-11-7-19-42(46)35-43-20-8-12-24-47(43)57;2*1-16-11-12-22(25-15-24-2)21(13-16)23-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)23;1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19;1-2;;;;;;;;/h15-18,27-34,36-37,42-43H,7-14,19-26,35,38-39H2,1-6H3;13-16,25-32,34-35,38-39,60-61H,5-12,17-24,33H2,1-4H3;2*11-14H,3-10,15H2,1-2H3;3-10,12-13H,11H2,1-2H3;1H3;8*1H4/t42-,43-;38-,39-;;;;;;;;;;;;/m00............/s1.

What are the key properties of 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene)?

1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene) has a molecular weight of 3119.79 g/mol, XLogP of 52.38, 40 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-[4-(2-bromophenoxy)pentan-2-yloxy]benzene;2-[2-[(2S,4S)-4-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;iodomethane;methane;9-[2-(methoxymethoxy)-3-[2-[(2S,4S)-4-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene) is sourced from PubChem (CID 159613218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).