tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium

C54H33Br9N6O16Si3V — CID 88778659

IUPACtris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium
SMILESO=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[V]
InChIInChI=1S/3C18H11Br3N2O5Si.O.V/c3*19-11-1-3-12(4-2-11)29(28,13-5-7-15(20)17(9-13)22(24)25)14-6-8-16(21)18(10-14)23(26)27;;/h3*1-10,28H;;
InChIKeyFQZQHCRRPGRCQE-UHFFFAOYSA-N
MW1876.22 g/mol
LogP11.13
Rot. Bonds15

About tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium

tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium (PubChem CID 88778659) has the molecular formula C54H33Br9N6O16Si3V and a molecular weight of 1876.22 g/mol. Its IUPAC name is tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium.

Molecular Properties

Compound Nametris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium
PubChem CID88778659
Molecular FormulaC54H33Br9N6O16Si3V
Molecular Weight1876.22 g/mol
Exact Mass1866.34
IUPAC Nametris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium
SMILESO=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[V]
InChIInChI=1S/3C18H11Br3N2O5Si.O.V/c3*19-11-1-3-12(4-2-11)29(28,13-5-7-15(20)17(9-13)22(24)25)14-6-8-16(21)18(10-14)23(26)27;;/h3*1-10,28H;;
InChIKeyFQZQHCRRPGRCQE-UHFFFAOYSA-N
XLogP11.13
TPSA336.60 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001876.22
LogP ≤ 511.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-(4-bromophenyl)-2-nitrobenzene
CID 58316117
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine
CID 60781321
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine
CID 82687440
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
4-bromo-3-nitrobenzaldehyde
CID 808792
(4-bromo-3-nitrophenyl)-trimethylarsanium;nitric acid
CID 54605361
1-(4-bromo-3-nitrophenyl)ethanol
CID 25170823
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-nitroaniline
CID 79767910
CID 6334188
CID 6334188
1-bromo-2,4,5-trinitrobenzene
CID 13333986
1-(4-bromo-3-nitrophenyl)propan-1-one
CID 3362692

Frequently Asked Questions

What is the IUPAC name of tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium?
The IUPAC name of tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium (CID 88778659) is tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium.
What is the SMILES notation for tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium?
The canonical SMILES for tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium is O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[N+]([O-])c1cc([Si](O)(c2ccc(Br)cc2)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Br.O=[V].
What is the InChIKey of tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium?
The InChIKey is FQZQHCRRPGRCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H11Br3N2O5Si.O.V/c3*19-11-1-3-12(4-2-11)29(28,13-5-7-15(20)17(9-13)22(24)25)14-6-8-16(21)18(10-14)23(26)27;;/h3*1-10,28H;;.
What are the key properties of tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium?
tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium has a molecular weight of 1876.22 g/mol, XLogP of 11.13, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis(4-bromo-3-nitrophenyl)-(4-bromophenyl)-hydroxysilane);oxovanadium is sourced from PubChem (CID 88778659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).