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

C71H71KN4O3S — CID 159401324

IUPACpotassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2[nH]c3ccccc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[K+].[OH-]
InChIInChI=1S/C39H38N2O2S.C32H32N2.K.H2O/c1-25-12-17-29(18-13-25)44(42,43)41-36-11-9-8-10-30(36)33-24-28(16-21-37(33)41)40-34-19-14-26(38(2,3)4)22-31(34)32-23-27(39(5,6)7)15-20-35(32)40;1-31(2,3)20-11-15-29-25(17-20)26-18-21(32(4,5)6)12-16-30(26)34(29)22-13-14-28-24(19-22)23-9-7-8-10-27(23)33-28;;/h8-24H,1-7H3;7-19,33H,1-6H3;;1H2/q;;+1;/p-1
InChIKeyLNJKOXWEGPQZKZ-UHFFFAOYSA-M
MW1099.54 g/mol
LogP15.87
Rot. Bonds4

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

potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide (PubChem CID 159401324) has the molecular formula C71H71KN4O3S and a molecular weight of 1099.54 g/mol. Its IUPAC name is potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide.

Molecular Properties

Compound Namepotassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
PubChem CID159401324
Molecular FormulaC71H71KN4O3S
Molecular Weight1099.54 g/mol
Exact Mass1098.49
IUPAC Namepotassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2[nH]c3ccccc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc32)cc1.[K+].[OH-]
InChIInChI=1S/C39H38N2O2S.C32H32N2.K.H2O/c1-25-12-17-29(18-13-25)44(42,43)41-36-11-9-8-10-30(36)33-24-28(16-21-37(33)41)40-34-19-14-26(38(2,3)4)22-31(34)32-23-27(39(5,6)7)15-20-35(32)40;1-31(2,3)20-11-15-29-25(17-20)26-18-21(32(4,5)6)12-16-30(26)34(29)22-13-14-28-24(19-22)23-9-7-8-10-27(23)33-28;;/h8-24H,1-7H3;7-19,33H,1-6H3;;1H2/q;;+1;/p-1
InChIKeyLNJKOXWEGPQZKZ-UHFFFAOYSA-M
XLogP15.87
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.54
LogP ≤ 515.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3',6'-di-tert-butyl-6-(3,6-di-tert-butyl-9H-carbazol-9-yl)-9H-3,9'-bicarbazole
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2-(1-Fluorocarbazol-9-yl)-3-[9-(4-methylphenyl)sulfonylcarbazol-1-yl]-9-phenylcarbazole
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bis{4-[3,6-bis(3,6-di-t-butylcarbazol-N-yl)carbazol-N-yl]phenyl}sulfone
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15-(Benzenesulfonyl)-5,25-dihexyl-5,15,25-triazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
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4-methyl-N-[2,3,5,6-tetrafluoro-4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]benzenesulfonamide
CID 137254413
5,15-Dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;5,15-dimethyl-9-[4-(trifluoromethyl)phenyl]sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
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4-methyl-N-[3-[10,15,20-tris[3-[(4-methylphenyl)sulfonylamino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]benzenesulfonamide
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3-Carbazol-9-yl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole
CID 24814812
3-carbazol-9-yl-6-(6-carbazol-9-yl-9H-carbazol-3-yl)-9H-carbazole
CID 57653809
3,6-Ditert-butyl-9-[6-[6-(3,6-ditert-butylcarbazol-9-yl)-9-(3-methylphenyl)carbazol-3-yl]-9-(3-methylphenyl)carbazol-3-yl]carbazole
CID 58384109

Frequently Asked Questions

What is the IUPAC name of potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
The IUPAC name of potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide (CID 159401324) is potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide.
What is the SMILES notation for potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
The canonical SMILES for potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2[nH]c3ccccc3c2c1.Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-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-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
The InChIKey is LNJKOXWEGPQZKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H38N2O2S.C32H32N2.K.H2O/c1-25-12-17-29(18-13-25)44(42,43)41-36-11-9-8-10-30(36)33-24-28(16-21-37(33)41)40-34-19-14-26(38(2,3)4)22-31(34)32-23-27(39(5,6)7)15-20-35(32)40;1-31(2,3)20-11-15-29-25(17-20)26-18-21(32(4,5)6)12-16-30(26)34(29)22-13-14-28-24(19-22)23-9-7-8-10-27(23)33-28;;/h8-24H,1-7H3;7-19,33H,1-6H3;;1H2/q;;+1;/p-1.
What are the key properties of potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide?
potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide has a molecular weight of 1099.54 g/mol, XLogP of 15.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3,6-ditert-butyl-9-(9H-carbazol-3-yl)carbazole;3,6-ditert-butyl-9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazole;hydroxide is sourced from PubChem (CID 159401324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).