1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride

C181H171Br3Cl2N6O20Zn — CID 158192174

About 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride

1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride (PubChem CID 158192174) has the molecular formula C181H171Br3Cl2N6O20Zn and a molecular weight of 3126.39 g/mol. Its IUPAC name is 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride.

Molecular Properties

• Compound Name: 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride
• PubChem CID: 158192174
• Molecular Formula: C181H171Br3Cl2N6O20Zn
• Molecular Weight: 3126.39 g/mol
• Exact Mass: 3118.88
• IUPAC Name: 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride
• SMILES: COCCOCOc1[c-]cc(C)cc1-n1c2ccccc2c2ccccc21.COCCOCOc1c(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOCCOC)cc(C)cc1-n1c2ccccc2c2ccccc21.COCCOCOc1c(Br)cc(C)cc1-n1c2ccccc2c2ccccc21.C[C@@H](C[C@H](C)Oc1ccccc1Br)Oc1ccccc1Br.Cc1cc(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cl.Cl[Zn+]
• InChI: InChI=1S/C63H62N2O8.C55H46N2O4.C23H22BrNO3.C23H22NO3.C17H18Br2O2.2ClH.Zn/c1-42-35-52(62(70-40-68-33-31-66-5)58(37-42)64-54-25-13-7-19-46(54)47-20-8-14-26-55(47)64)50-23-11-17-29-60(50)72-44(3)39-45(4)73-61-30-18-12-24-51(61)53-36-43(2)38-59(63(53)71-41-69-34-32-67-6)65-56-27-15-9-21-48(56)49-22-10-16-28-57(49)65;1-34-29-44(54(58)50(31-34)56-46-23-11-5-17-38(46)39-18-6-12-24-47(39)56)42-21-9-15-27-52(42)60-36(3)33-37(4)61-53-28-16-10-22-43(53)45-30-35(2)32-51(55(45)59)57-48-25-13-7-19-40(48)41-20-8-14-26-49(41)57;1-16-13-19(24)23(28-15-27-12-11-26-2)22(14-16)25-20-9-5-3-7-17(20)18-8-4-6-10-21(18)25;1-17-11-12-23(27-16-26-14-13-25-2)22(15-17)24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24;1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19;;;/h7-30,35-38,44-45H,31-34,39-41H2,1-6H3;5-32,36-37,58-59H,33H2,1-4H3;3-10,13-14H,11-12,15H2,1-2H3;3-11,15H,13-14,16H2,1-2H3;3-10,12-13H,11H2,1-2H3;2*1H;/q;;;-1;;;;+2/p-1/t44-,45-;36-,37-;;;12-,13-;;;/m00..0.../s1
• InChIKey: ORBJFOLHOOJTDL-VVBJKLSASA-M
• XLogP: 46.01
• TPSA: 236.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 52
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3126.39
LogP ≤ 5	46.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride?

The IUPAC name of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride (CID 158192174) is 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride.

What is the SMILES notation for 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride?

The canonical SMILES for 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride is COCCOCOc1[c-]cc(C)cc1-n1c2ccccc2c2ccccc21.COCCOCOc1c(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOCCOC)cc(C)cc1-n1c2ccccc2c2ccccc21.COCCOCOc1c(Br)cc(C)cc1-n1c2ccccc2c2ccccc21.C[C@@H](C[C@H](C)Oc1ccccc1Br)Oc1ccccc1Br.Cc1cc(-c2ccccc2O[C@@H](C)C[C@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cl.Cl[Zn+].

What is the InChIKey of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride?

The InChIKey is ORBJFOLHOOJTDL-VVBJKLSASA-M. The full InChI is InChI=1S/C63H62N2O8.C55H46N2O4.C23H22BrNO3.C23H22NO3.C17H18Br2O2.2ClH.Zn/c1-42-35-52(62(70-40-68-33-31-66-5)58(37-42)64-54-25-13-7-19-46(54)47-20-8-14-26-55(47)64)50-23-11-17-29-60(50)72-44(3)39-45(4)73-61-30-18-12-24-51(61)53-36-43(2)38-59(63(53)71-41-69-34-32-67-6)65-56-27-15-9-21-48(56)49-22-10-16-28-57(49)65;1-34-29-44(54(58)50(31-34)56-46-23-11-5-17-38(46)39-18-6-12-24-47(39)56)42-21-9-15-27-52(42)60-36(3)33-37(4)61-53-28-16-10-22-43(53)45-30-35(2)32-51(55(45)59)57-48-25-13-7-19-40(48)41-20-8-14-26-49(41)57;1-16-13-19(24)23(28-15-27-12-11-26-2)22(14-16)25-20-9-5-3-7-17(20)18-8-4-6-10-21(18)25;1-17-11-12-23(27-16-26-14-13-25-2)22(15-17)24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24;1-12(20-16-9-5-3-7-14(16)18)11-13(2)21-17-10-6-4-8-15(17)19;;;/h7-30,35-38,44-45H,31-34,39-41H2,1-6H3;5-32,36-37,58-59H,33H2,1-4H3;3-10,13-14H,11-12,15H2,1-2H3;3-11,15H,13-14,16H2,1-2H3;3-10,12-13H,11H2,1-2H3;2*1H;/q;;;-1;;;;+2/p-1/t44-,45-;36-,37-;;;12-,13-;;;/m00..0.../s1.

What are the key properties of 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride?

1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride has a molecular weight of 3126.39 g/mol, XLogP of 46.01, 52 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride is sourced from PubChem (CID 158192174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).