disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide

C152H100N8Na2O14S2-2 — CID 158490841

IUPACdisodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide
SMILESO=C(OCc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1cc(C(=O)OCc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc([S-](=O)=O)c1.O=C(OCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1cc(C(=O)OCc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc([S-](=O)=O)c1.[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/C82H53N4O6S.C70H45N4O6S.2Na.2H2O/c87-81(91-50-52-25-43-79-71(45-52)69-17-5-11-23-77(69)85(79)62-39-31-56(32-40-62)54-27-35-60(36-28-54)83-73-19-7-1-13-65(73)66-14-2-8-20-74(66)83)58-47-59(49-64(48-58)93(89)90)82(88)92-51-53-26-44-80-72(46-53)70-18-6-12-24-78(70)86(80)63-41-33-57(34-42-63)55-29-37-61(38-30-55)84-75-21-9-3-15-67(75)68-16-4-10-22-76(68)84;75-69(79-42-44-33-48(71-61-25-9-1-17-53(61)54-18-2-10-26-62(54)71)40-49(34-44)72-63-27-11-3-19-55(63)56-20-4-12-28-64(56)72)46-37-47(39-52(38-46)81(77)78)70(76)80-43-45-35-50(73-65-29-13-5-21-57(65)58-22-6-14-30-66(58)73)41-51(36-45)74-67-31-15-7-23-59(67)60-24-8-16-32-68(60)74;;;;/h1-49H,50-51H2;1-41H,42-43H2;;;2*1H2/q2*-1;2*+1;;/p-2
InChIKeyZAGWOQWDIQKDES-UHFFFAOYSA-L
MW2372.63 g/mol
LogP29.90
Rot. Bonds24

About disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide

disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide (PubChem CID 158490841) has the molecular formula C152H100N8Na2O14S2-2 and a molecular weight of 2372.63 g/mol. Its IUPAC name is disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide.

Molecular Properties

Compound Namedisodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide
PubChem CID158490841
Molecular FormulaC152H100N8Na2O14S2-2
Molecular Weight2372.63 g/mol
Exact Mass2370.66
IUPAC Namedisodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide
SMILESO=C(OCc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1cc(C(=O)OCc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc([S-](=O)=O)c1.O=C(OCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1cc(C(=O)OCc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc([S-](=O)=O)c1.[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/C82H53N4O6S.C70H45N4O6S.2Na.2H2O/c87-81(91-50-52-25-43-79-71(45-52)69-17-5-11-23-77(69)85(79)62-39-31-56(32-40-62)54-27-35-60(36-28-54)83-73-19-7-1-13-65(73)66-14-2-8-20-74(66)83)58-47-59(49-64(48-58)93(89)90)82(88)92-51-53-26-44-80-72(46-53)70-18-6-12-24-78(70)86(80)63-41-33-57(34-42-63)55-29-37-61(38-30-55)84-75-21-9-3-15-67(75)68-16-4-10-22-76(68)84;75-69(79-42-44-33-48(71-61-25-9-1-17-53(61)54-18-2-10-26-62(54)71)40-49(34-44)72-63-27-11-3-19-55(63)56-20-4-12-28-64(56)72)46-37-47(39-52(38-46)81(77)78)70(76)80-43-45-35-50(73-65-29-13-5-21-57(65)58-22-6-14-30-66(58)73)41-51(36-45)74-67-31-15-7-23-59(67)60-24-8-16-32-68(60)74;;;;/h1-49H,50-51H2;1-41H,42-43H2;;;2*1H2/q2*-1;2*+1;;/p-2
InChIKeyZAGWOQWDIQKDES-UHFFFAOYSA-L
XLogP29.90
TPSA272.92 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.63
LogP ≤ 529.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide with MolForge

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Related Compounds

[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl 4-(2-methylbutan-2-yl)benzoate;molecular hydrogen
CID 159115157
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
2-[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methoxy]ethyl 2,2-dimethylpentanoate
CID 147029302
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
2-methylpentan-2-yl 2-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]acetate
CID 163588358
3-(4-bromophenyl)-9-[4-[4-[[4-[[4-[4-[3-(4-bromophenyl)carbazol-9-yl]phenyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]phenyl]carbazole
CID 163550993
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011

Frequently Asked Questions

What is the IUPAC name of disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide?
The IUPAC name of disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide (CID 158490841) is disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide.
What is the SMILES notation for disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide?
The canonical SMILES for disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide is O=C(OCc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1cc(C(=O)OCc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc([S-](=O)=O)c1.O=C(OCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1cc(C(=O)OCc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc([S-](=O)=O)c1.[Na+].[Na+].[OH-].[OH-].
What is the InChIKey of disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide?
The InChIKey is ZAGWOQWDIQKDES-UHFFFAOYSA-L. The full InChI is InChI=1S/C82H53N4O6S.C70H45N4O6S.2Na.2H2O/c87-81(91-50-52-25-43-79-71(45-52)69-17-5-11-23-77(69)85(79)62-39-31-56(32-40-62)54-27-35-60(36-28-54)83-73-19-7-1-13-65(73)66-14-2-8-20-74(66)83)58-47-59(49-64(48-58)93(89)90)82(88)92-51-53-26-44-80-72(46-53)70-18-6-12-24-78(70)86(80)63-41-33-57(34-42-63)55-29-37-61(38-30-55)84-75-21-9-3-15-67(75)68-16-4-10-22-76(68)84;75-69(79-42-44-33-48(71-61-25-9-1-17-53(61)54-18-2-10-26-62(54)71)40-49(34-44)72-63-27-11-3-19-55(63)56-20-4-12-28-64(56)72)46-37-47(39-52(38-46)81(77)78)70(76)80-43-45-35-50(73-65-29-13-5-21-57(65)58-22-6-14-30-66(58)73)41-51(36-45)74-67-31-15-7-23-59(67)60-24-8-16-32-68(60)74;;;;/h1-49H,50-51H2;1-41H,42-43H2;;;2*1H2/q2*-1;2*+1;;/p-2.
What are the key properties of disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide?
disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide has a molecular weight of 2372.63 g/mol, XLogP of 29.90, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis[[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;bis[[3,5-di(carbazol-9-yl)phenyl]methyl] 5-sulfinatobenzene-1,3-dicarboxylate;dihydroxide is sourced from PubChem (CID 158490841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).