potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate

C64H50Br2KN3O — CID 157077583

IUPACpotassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)[O-].[K+].c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C36H24N2.C12H8Br2.C12H9N.C4H9O.K/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-4(2,3)5;/h1-24H;1-8H;1-8,13H;1-3H3;/q;;;-1;+1
InChIKeyADDPDLRXHBSSML-UHFFFAOYSA-N
MW1076.03 g/mol
LogP14.90
Rot. Bonds4

About potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate

potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate (PubChem CID 157077583) has the molecular formula C64H50Br2KN3O and a molecular weight of 1076.03 g/mol. Its IUPAC name is potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate
PubChem CID157077583
Molecular FormulaC64H50Br2KN3O
Molecular Weight1076.03 g/mol
Exact Mass1073.20
IUPAC Namepotassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)[O-].[K+].c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C36H24N2.C12H8Br2.C12H9N.C4H9O.K/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-4(2,3)5;/h1-24H;1-8H;1-8,13H;1-3H3;/q;;;-1;+1
InChIKeyADDPDLRXHBSSML-UHFFFAOYSA-N
XLogP14.90
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.03
LogP ≤ 514.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate?
The IUPAC name of potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate (CID 157077583) is potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate.
What is the SMILES notation for potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate?
The canonical SMILES for potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate is Brc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)[O-].[K+].c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate?
The InChIKey is ADDPDLRXHBSSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.C12H8Br2.C12H9N.C4H9O.K/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-4(2,3)5;/h1-24H;1-8H;1-8,13H;1-3H3;/q;;;-1;+1.
What are the key properties of potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate?
potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate has a molecular weight of 1076.03 g/mol, XLogP of 14.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-bromo-4-(4-bromophenyl)benzene;9H-carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-methylpropan-2-olate is sourced from PubChem (CID 157077583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).