sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride

C36H44Br4ClN2NaSi2 — CID 161391091

IUPACsodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride
SMILESBrc1ccc2c(c1)[nH]c1cc(Br)ccc12.CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)n1c2cc(Br)ccc2c2ccc(Br)cc21.[H-].[Na+]
InChIInChI=1S/C18H21Br2NSi.C12H7Br2N.C6H15ClSi.Na.H/c1-18(2,3)22(4,5)21-16-10-12(19)6-8-14(16)15-9-7-13(20)11-17(15)21;13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7;1-6(2,3)8(4,5)7;;/h6-11H,1-5H3;1-6,15H;1-5H3;;/q;;;+1;-1
InChIKeyCJDOEGMXQDMDSV-UHFFFAOYSA-N
MW938.99 g/mol
LogP12.37
Rot. Bonds1

About sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride

sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride (PubChem CID 161391091) has the molecular formula C36H44Br4ClN2NaSi2 and a molecular weight of 938.99 g/mol. Its IUPAC name is sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride.

Molecular Properties

Compound Namesodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride
PubChem CID161391091
Molecular FormulaC36H44Br4ClN2NaSi2
Molecular Weight938.99 g/mol
Exact Mass933.94
IUPAC Namesodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride
SMILESBrc1ccc2c(c1)[nH]c1cc(Br)ccc12.CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)n1c2cc(Br)ccc2c2ccc(Br)cc21.[H-].[Na+]
InChIInChI=1S/C18H21Br2NSi.C12H7Br2N.C6H15ClSi.Na.H/c1-18(2,3)22(4,5)21-16-10-12(19)6-8-14(16)15-9-7-13(20)11-17(15)21;13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7;1-6(2,3)8(4,5)7;;/h6-11H,1-5H3;1-6,15H;1-5H3;;/q;;;+1;-1
InChIKeyCJDOEGMXQDMDSV-UHFFFAOYSA-N
XLogP12.37
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.99
LogP ≤ 512.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride?
The IUPAC name of sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride (CID 161391091) is sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride.
What is the SMILES notation for sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride?
The canonical SMILES for sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride is Brc1ccc2c(c1)[nH]c1cc(Br)ccc12.CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)n1c2cc(Br)ccc2c2ccc(Br)cc21.[H-].[Na+].
What is the InChIKey of sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride?
The InChIKey is CJDOEGMXQDMDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2NSi.C12H7Br2N.C6H15ClSi.Na.H/c1-18(2,3)22(4,5)21-16-10-12(19)6-8-14(16)15-9-7-13(20)11-17(15)21;13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7;1-6(2,3)8(4,5)7;;/h6-11H,1-5H3;1-6,15H;1-5H3;;/q;;;+1;-1.
What are the key properties of sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride?
sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride has a molecular weight of 938.99 g/mol, XLogP of 12.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl-chloro-dimethylsilane;tert-butyl-(2,7-dibromocarbazol-9-yl)-dimethylsilane;2,7-dibromo-9H-carbazole;hydride is sourced from PubChem (CID 161391091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).