1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride

C170H156Br2Cl2N6O10S6Zn — CID 157199145

IUPAC1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride
SMILESBrc1ccccc1SCCCSc1ccccc1Br.C.C.C.COCOc1[c-]cc(C)cc1-n1c2ccccc2c2ccccc21.COCOc1c(-c2ccccc2SCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOC)cc(C)cc1-n1c2ccccc2c2ccccc21.COCOc1ccc(C)cc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2ccccc2SCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cl.Cl[Zn+]
InChIInChI=1S/C57H50N2O4S2.C53H42N2O2S2.C21H19NO2.C21H18NO2.C15H14Br2S2.3CH4.2ClH.Zn/c1-38-32-46(56(62-36-60-3)52(34-38)58-48-24-11-5-18-40(48)41-19-6-12-25-49(41)58)44-22-9-15-28-54(44)64-30-17-31-65-55-29-16-10-23-45(55)47-33-39(2)35-53(57(47)63-37-61-4)59-50-26-13-7-20-42(50)43-21-8-14-27-51(43)59;1-34-30-42(52(56)48(32-34)54-44-22-9-3-16-36(44)37-17-4-10-23-45(37)54)40-20-7-13-26-50(40)58-28-15-29-59-51-27-14-8-21-41(51)43-31-35(2)33-49(53(43)57)55-46-24-11-5-18-38(46)39-19-6-12-25-47(39)55;2*1-15-11-12-21(24-14-23-2)20(13-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;16-12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17;;;;;;/h5-16,18-29,32-35H,17,30-31,36-37H2,1-4H3;3-14,16-27,30-33,56-57H,15,28-29H2,1-2H3;3-13H,14H2,1-2H3;3-11,13H,14H2,1-2H3;1-4,6-9H,5,10-11H2;3*1H4;2*1H;/q;;;-1;;;;;;;+2/p-1
InChIKeyWHVAFJAOJSTFMN-UHFFFAOYSA-M
MW2931.66 g/mol
LogP49.04
Rot. Bonds40

About 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride

1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride (PubChem CID 157199145) has the molecular formula C170H156Br2Cl2N6O10S6Zn and a molecular weight of 2931.66 g/mol. Its IUPAC name is 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride.

Molecular Properties

Compound Name1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride
PubChem CID157199145
Molecular FormulaC170H156Br2Cl2N6O10S6Zn
Molecular Weight2931.66 g/mol
Exact Mass2924.72
IUPAC Name1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride
SMILESBrc1ccccc1SCCCSc1ccccc1Br.C.C.C.COCOc1[c-]cc(C)cc1-n1c2ccccc2c2ccccc21.COCOc1c(-c2ccccc2SCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOC)cc(C)cc1-n1c2ccccc2c2ccccc21.COCOc1ccc(C)cc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2ccccc2SCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cl.Cl[Zn+]
InChIInChI=1S/C57H50N2O4S2.C53H42N2O2S2.C21H19NO2.C21H18NO2.C15H14Br2S2.3CH4.2ClH.Zn/c1-38-32-46(56(62-36-60-3)52(34-38)58-48-24-11-5-18-40(48)41-19-6-12-25-49(41)58)44-22-9-15-28-54(44)64-30-17-31-65-55-29-16-10-23-45(55)47-33-39(2)35-53(57(47)63-37-61-4)59-50-26-13-7-20-42(50)43-21-8-14-27-51(43)59;1-34-30-42(52(56)48(32-34)54-44-22-9-3-16-36(44)37-17-4-10-23-45(37)54)40-20-7-13-26-50(40)58-28-15-29-59-51-27-14-8-21-41(51)43-31-35(2)33-49(53(43)57)55-46-24-11-5-18-38(46)39-19-6-12-25-47(39)55;2*1-15-11-12-21(24-14-23-2)20(13-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;16-12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17;;;;;;/h5-16,18-29,32-35H,17,30-31,36-37H2,1-4H3;3-14,16-27,30-33,56-57H,15,28-29H2,1-2H3;3-13H,14H2,1-2H3;3-11,13H,14H2,1-2H3;1-4,6-9H,5,10-11H2;3*1H4;2*1H;/q;;;-1;;;;;;;+2/p-1
InChIKeyWHVAFJAOJSTFMN-UHFFFAOYSA-M
XLogP49.04
TPSA143.88 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.66
LogP ≤ 549.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

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'}

Analyze 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride?
The IUPAC name of 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride (CID 157199145) is 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride.
What is the SMILES notation for 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride?
The canonical SMILES for 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride is Brc1ccccc1SCCCSc1ccccc1Br.C.C.C.COCOc1[c-]cc(C)cc1-n1c2ccccc2c2ccccc21.COCOc1c(-c2ccccc2SCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOC)cc(C)cc1-n1c2ccccc2c2ccccc21.COCOc1ccc(C)cc1-n1c2ccccc2c2ccccc21.Cc1cc(-c2ccccc2SCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cl.Cl[Zn+].
What is the InChIKey of 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride?
The InChIKey is WHVAFJAOJSTFMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C57H50N2O4S2.C53H42N2O2S2.C21H19NO2.C21H18NO2.C15H14Br2S2.3CH4.2ClH.Zn/c1-38-32-46(56(62-36-60-3)52(34-38)58-48-24-11-5-18-40(48)41-19-6-12-25-49(41)58)44-22-9-15-28-54(44)64-30-17-31-65-55-29-16-10-23-45(55)47-33-39(2)35-53(57(47)63-37-61-4)59-50-26-13-7-20-42(50)43-21-8-14-27-51(43)59;1-34-30-42(52(56)48(32-34)54-44-22-9-3-16-36(44)37-17-4-10-23-45(37)54)40-20-7-13-26-50(40)58-28-15-29-59-51-27-14-8-21-41(51)43-31-35(2)33-49(53(43)57)55-46-24-11-5-18-38(46)39-19-6-12-25-47(39)55;2*1-15-11-12-21(24-14-23-2)20(13-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;16-12-6-1-3-8-14(12)18-10-5-11-19-15-9-4-2-7-13(15)17;;;;;;/h5-16,18-29,32-35H,17,30-31,36-37H2,1-4H3;3-14,16-27,30-33,56-57H,15,28-29H2,1-2H3;3-13H,14H2,1-2H3;3-11,13H,14H2,1-2H3;1-4,6-9H,5,10-11H2;3*1H4;2*1H;/q;;;-1;;;;;;;+2/p-1.
What are the key properties of 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride?
1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride has a molecular weight of 2931.66 g/mol, XLogP of 49.04, 40 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[3-(2-bromophenyl)sulfanylpropylsulfanyl]benzene;2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylpropylsulfanyl]phenyl]-4-methylphenol;9-[3-[2-[3-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]phenyl]sulfanylpropylsulfanyl]phenyl]-2-(methoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);methane;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;9-[2-(methoxymethoxy)-5-methylphenyl]carbazole;hydrochloride is sourced from PubChem (CID 157199145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).