2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole

C30H47BrN4Si2 — CID 135007640

IUPAC2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)[Si]1(c2ccc3ccccc3c2)N(C(C)(C)C)C=CN1C(C)(C)C
InChIInChI=1S/C30H47BrN4Si2/c1-27(2,3)32-19-20-33(28(4,5)6)36(32,26-18-17-24-15-13-14-16-25(24)23-26)37(31)34(29(7,8)9)21-22-35(37)30(10,11)12/h13-23H,1-12H3
InChIKeyPKSDGAPMERFADB-UHFFFAOYSA-N
MW599.81 g/mol
LogP7.27
Rot. Bonds2

About 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole

2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole (PubChem CID 135007640) has the molecular formula C30H47BrN4Si2 and a molecular weight of 599.81 g/mol. Its IUPAC name is 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole.

Molecular Properties

Compound Name2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
PubChem CID135007640
Molecular FormulaC30H47BrN4Si2
Molecular Weight599.81 g/mol
Exact Mass598.25
IUPAC Name2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)[Si]1(c2ccc3ccccc3c2)N(C(C)(C)C)C=CN1C(C)(C)C
InChIInChI=1S/C30H47BrN4Si2/c1-27(2,3)32-19-20-33(28(4,5)6)36(32,26-18-17-24-15-13-14-16-25(24)23-26)37(31)34(29(7,8)9)21-22-35(37)30(10,11)12/h13-23H,1-12H3
InChIKeyPKSDGAPMERFADB-UHFFFAOYSA-N
XLogP7.27
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.81
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 134901450
2-Bromo-1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilole
CID 135007639
2-bromo-1,3-ditert-butyl-2-[1,3-ditert-butyl-2-(9H-fluoren-9-yl)-1,3,2-diazasilol-2-yl]-1,3,2-diazasilole
CID 135007795
1,4-Ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 135008525
2-Bromo-1,3-ditert-butyl-2-[1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilol-2-yl]-1,3,2-diazasilole
CID 135053722

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole?
The IUPAC name of 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole (CID 135007640) is 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole.
What is the SMILES notation for 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole?
The canonical SMILES for 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole is CC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Br)[Si]1(c2ccc3ccccc3c2)N(C(C)(C)C)C=CN1C(C)(C)C.
What is the InChIKey of 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole?
The InChIKey is PKSDGAPMERFADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47BrN4Si2/c1-27(2,3)32-19-20-33(28(4,5)6)36(32,26-18-17-24-15-13-14-16-25(24)23-26)37(31)34(29(7,8)9)21-22-35(37)30(10,11)12/h13-23H,1-12H3.
What are the key properties of 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole?
2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole has a molecular weight of 599.81 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-naphthalen-2-yl-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole is sourced from PubChem (CID 135007640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).