sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate

C52H42Br3N2NaO — CID 157118822

IUPACsodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)[O-].[Na+].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H16BrN.C12H8Br2.C12H9N.C4H9O.Na/c25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;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;/h1-16H;1-8H;1-8,13H;1-3H3;/q;;;-1;+1
InChIKeyAHSJAHIQPFYARW-UHFFFAOYSA-N
MW973.62 g/mol
LogP12.56
Rot. Bonds3

About sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate

sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate (PubChem CID 157118822) has the molecular formula C52H42Br3N2NaO and a molecular weight of 973.62 g/mol. Its IUPAC name is sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate.

Molecular Properties

Compound Namesodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate
PubChem CID157118822
Molecular FormulaC52H42Br3N2NaO
Molecular Weight973.62 g/mol
Exact Mass970.07
IUPAC Namesodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)[O-].[Na+].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H16BrN.C12H8Br2.C12H9N.C4H9O.Na/c25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;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;/h1-16H;1-8H;1-8,13H;1-3H3;/q;;;-1;+1
InChIKeyAHSJAHIQPFYARW-UHFFFAOYSA-N
XLogP12.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.62
LogP ≤ 512.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate?
The IUPAC name of sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate (CID 157118822) is sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate.
What is the SMILES notation for sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate?
The canonical SMILES for sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate is Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.CC(C)(C)[O-].[Na+].c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate?
The InChIKey is AHSJAHIQPFYARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN.C12H8Br2.C12H9N.C4H9O.Na/c25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;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;/h1-16H;1-8H;1-8,13H;1-3H3;/q;;;-1;+1.
What are the key properties of sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate?
sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate has a molecular weight of 973.62 g/mol, XLogP of 12.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-bromo-4-(4-bromophenyl)benzene;9-[4-(4-bromophenyl)phenyl]carbazole;9H-carbazole;2-methylpropan-2-olate is sourced from PubChem (CID 157118822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).