1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride

C247H308Br2Cl2N4O16PdPt2Zn-6 — CID 157167141

About 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride

1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride (PubChem CID 157167141) has the molecular formula C247H308Br2Cl2N4O16PdPt2Zn-6 and a molecular weight of 4381.87 g/mol. Its IUPAC name is 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride.

Molecular Properties

• Compound Name: 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride
• PubChem CID: 157167141
• Molecular Formula: C247H308Br2Cl2N4O16PdPt2Zn-6
• Molecular Weight: 4381.87 g/mol
• Exact Mass: 4373.88
• IUPAC Name: 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride
• SMILES: COCOc1[c-]cc(C)cc1C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.COCOc1c(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCOC)cc(C)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.COCOc1ccc(C)cc1C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.C[C@@H](C[C@H](C)Oc1ccccc1Br)Oc1ccccc1Br.Cc1cc(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cl.Cl[Zn+].[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Pd].[Pt].[Pt]
• InChI: InChI=1S/C75H86N2O6.C71H78N2O4.C30H36O2.C30H35O2.C17H18Br2O2.6C4H9.2ClH.Pd.2Pt.Zn/c1-46-35-60(70(80-44-78-17)66(37-46)76-62-31-27-50(72(5,6)7)40-56(62)57-41-51(73(8,9)10)28-32-63(57)76)54-23-19-21-25-68(54)82-48(3)39-49(4)83-69-26-22-20-24-55(69)61-36-47(2)38-67(71(61)81-45-79-18)77-64-33-29-52(74(11,12)13)42-58(64)59-43-53(75(14,15)16)30-34-65(59)77;1-42-33-56(66(74)62(35-42)72-58-29-25-46(68(5,6)7)38-52(58)53-39-47(69(8,9)10)26-30-59(53)72)50-21-17-19-23-64(50)76-44(3)37-45(4)77-65-24-20-18-22-51(65)57-34-43(2)36-63(67(57)75)73-60-31-27-48(70(11,12)13)40-54(60)55-41-49(71(14,15)16)28-32-61(55)73;2*1-19-9-14-27(32-18-31-8)26(15-19)28-22-12-10-20(29(2,3)4)16-24(22)25-17-21(30(5,6)7)11-13-23(25)28;1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19;6*1-3-4-2;;;;;;/h19-38,40-43,48-49H,39,44-45H2,1-18H3;17-36,38-41,44-45,74-75H,37H2,1-16H3;9-17,28H,18H2,1-8H3;9-13,15-17,28H,18H2,1-8H3;3-10,12-13H,11H2,1-2H3;6*1,3-4H2,2H3;2*1H;;;;/q;;;-1;;6*-1;;;;;;+2/p-1/t48-,49-;44-,45-;;;12-,13-;;;;;;;;;;;;/m00..0............/s1
• InChIKey: GJFHGYSBVUMCDA-VURRQLIGSA-M
• XLogP: 70.60
• TPSA: 189.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 46
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4381.87
LogP ≤ 5	70.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride?

The IUPAC name of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride (CID 157167141) is 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride.

What is the SMILES notation for 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride?

The canonical SMILES for 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride is COCOc1[c-]cc(C)cc1C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.COCOc1c(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2OCOC)cc(C)cc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.COCOc1ccc(C)cc1C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.C[C@@H](C[C@H](C)Oc1ccccc1Br)Oc1ccccc1Br.Cc1cc(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cl.Cl[Zn+].[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Pd].[Pt].[Pt].

What is the InChIKey of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride?

The InChIKey is GJFHGYSBVUMCDA-VURRQLIGSA-M. The full InChI is InChI=1S/C75H86N2O6.C71H78N2O4.C30H36O2.C30H35O2.C17H18Br2O2.6C4H9.2ClH.Pd.2Pt.Zn/c1-46-35-60(70(80-44-78-17)66(37-46)76-62-31-27-50(72(5,6)7)40-56(62)57-41-51(73(8,9)10)28-32-63(57)76)54-23-19-21-25-68(54)82-48(3)39-49(4)83-69-26-22-20-24-55(69)61-36-47(2)38-67(71(61)81-45-79-18)77-64-33-29-52(74(11,12)13)42-58(64)59-43-53(75(14,15)16)30-34-65(59)77;1-42-33-56(66(74)62(35-42)72-58-29-25-46(68(5,6)7)38-52(58)53-39-47(69(8,9)10)26-30-59(53)72)50-21-17-19-23-64(50)76-44(3)37-45(4)77-65-24-20-18-22-51(65)57-34-43(2)36-63(67(57)75)73-60-31-27-48(70(11,12)13)40-54(60)55-41-49(71(14,15)16)28-32-61(55)73;2*1-19-9-14-27(32-18-31-8)26(15-19)28-22-12-10-20(29(2,3)4)16-24(22)25-17-21(30(5,6)7)11-13-23(25)28;1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19;6*1-3-4-2;;;;;;/h19-38,40-43,48-49H,39,44-45H2,1-18H3;17-36,38-41,44-45,74-75H,37H2,1-16H3;9-17,28H,18H2,1-8H3;9-13,15-17,28H,18H2,1-8H3;3-10,12-13H,11H2,1-2H3;6*1,3-4H2,2H3;2*1H;;;;/q;;;-1;;6*-1;;;;;;+2/p-1/t48-,49-;44-,45-;;;12-,13-;;;;;;;;;;;;/m00..0............/s1.

What are the key properties of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride?

1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride has a molecular weight of 4381.87 g/mol, XLogP of 70.60, 46 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;butane;chlorozinc(1+);2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;3,6-ditert-butyl-9-[3-[2-[(2S,4S)-4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-(methoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-9H-fluorene;3,6-ditert-butyl-9-[2-(methoxymethoxy)-5-methylphenyl]-9H-fluorene;palladium;platinum;hydrochloride is sourced from PubChem (CID 157167141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).