potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide

C111H117KN6O3S — CID 158017754

IUPACpotassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2[nH]c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[K+].[OH-]
InChIInChI=1S/C59H61N3O2S.C52H55N3.K.H2O/c1-36-14-22-43(23-15-36)65(63,64)62-54-28-20-41(60-50-24-16-37(56(2,3)4)30-44(50)45-31-38(57(5,6)7)17-25-51(45)60)34-48(54)49-35-42(21-29-55(49)62)61-52-26-18-39(58(8,9)10)32-46(52)47-33-40(59(11,12)13)19-27-53(47)61;1-49(2,3)31-13-21-45-39(25-31)40-26-32(50(4,5)6)14-22-46(40)54(45)35-17-19-43-37(29-35)38-30-36(18-20-44(38)53-43)55-47-23-15-33(51(7,8)9)27-41(47)42-28-34(52(10,11)12)16-24-48(42)55;;/h14-35H,1-13H3;13-30,53H,1-12H3;;1H2/q;;+1;/p-1
InChIKeyFFRIJCQODWRNSU-UHFFFAOYSA-M
MW1654.36 g/mol
LogP27.26
Rot. Bonds6

About potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide

potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide (PubChem CID 158017754) has the molecular formula C111H117KN6O3S and a molecular weight of 1654.36 g/mol. Its IUPAC name is potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide.

Molecular Properties

Compound Namepotassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
PubChem CID158017754
Molecular FormulaC111H117KN6O3S
Molecular Weight1654.36 g/mol
Exact Mass1652.85
IUPAC Namepotassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2[nH]c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[K+].[OH-]
InChIInChI=1S/C59H61N3O2S.C52H55N3.K.H2O/c1-36-14-22-43(23-15-36)65(63,64)62-54-28-20-41(60-50-24-16-37(56(2,3)4)30-44(50)45-31-38(57(5,6)7)17-25-51(45)60)34-48(54)49-35-42(21-29-55(49)62)61-52-26-18-39(58(8,9)10)32-46(52)47-33-40(59(11,12)13)19-27-53(47)61;1-49(2,3)31-13-21-45-39(25-31)40-26-32(50(4,5)6)14-22-46(40)54(45)35-17-19-43-37(29-35)38-30-36(18-20-44(38)53-43)55-47-23-15-33(51(7,8)9)27-41(47)42-28-34(52(10,11)12)16-24-48(42)55;;/h14-35H,1-13H3;13-30,53H,1-12H3;;1H2/q;;+1;/p-1
InChIKeyFFRIJCQODWRNSU-UHFFFAOYSA-M
XLogP27.26
TPSA104.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001654.36
LogP ≤ 527.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide with MolForge

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Related Compounds

3',6'-di-tert-butyl-6-(3,6-di-tert-butyl-9H-carbazol-9-yl)-9H-3,9'-bicarbazole
CID 85843124
3-butan-2-yl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-tert-butyl-6-(4-carbazol-9-ylphenyl)-9H-carbazole;3-(2-carbazol-9-ylphenyl)-9H-carbazole;3-(3-carbazol-9-ylphenyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(2-methylpropyl)-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-propan-2-yl-9H-carbazole;3-(4-carbazol-9-ylphenyl)-6-(trifluoromethyl)-9H-carbazole
CID 158635570
Hexane;bis(5-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-4-(2-phenylindol-1-yl)indole)
CID 139182885
bis{4-[3,6-bis(3,6-di-t-butylcarbazol-N-yl)carbazol-N-yl]phenyl}sulfone
CID 145925824
3-Carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole
CID 24814812
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 57573013
3-carbazol-9-yl-6-(6-carbazol-9-yl-9H-carbazol-3-yl)-9H-carbazole
CID 57653809
3-N,3-N,6-N,6-N-tetrakis(4-carbazol-9-ylphenyl)-9H-carbazole-3,6-diamine
CID 58925342
3-Carbazol-9-yl-9-(p-tolylsulfonyl)carbazole
CID 66974535
3,3''-Bis(phenyl)-9'-[(phenyl)sulfonyl]-9,3':6',9''-ter-9H-carbazole
CID 70654365
9-(Benzenesulfonyl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole
CID 70661051
9-(Benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole
CID 70661565

Frequently Asked Questions

What is the IUPAC name of potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
The IUPAC name of potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide (CID 158017754) is potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide.
What is the SMILES notation for potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
The canonical SMILES for potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2[nH]c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[K+].[OH-].
What is the InChIKey of potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
The InChIKey is FFRIJCQODWRNSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C59H61N3O2S.C52H55N3.K.H2O/c1-36-14-22-43(23-15-36)65(63,64)62-54-28-20-41(60-50-24-16-37(56(2,3)4)30-44(50)45-31-38(57(5,6)7)17-25-51(45)60)34-48(54)49-35-42(21-29-55(49)62)61-52-26-18-39(58(8,9)10)32-46(52)47-33-40(59(11,12)13)19-27-53(47)61;1-49(2,3)31-13-21-45-39(25-31)40-26-32(50(4,5)6)14-22-46(40)54(45)35-17-19-43-37(29-35)38-30-36(18-20-44(38)53-43)55-47-23-15-33(51(7,8)9)27-41(47)42-28-34(52(10,11)12)16-24-48(42)55;;/h14-35H,1-13H3;13-30,53H,1-12H3;;1H2/q;;+1;/p-1.
What are the key properties of potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide has a molecular weight of 1654.36 g/mol, XLogP of 27.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide is sourced from PubChem (CID 158017754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).