(N-diazonioanilino)benzene hexatetrafluoroborate

C12H10B6F24N3-5 — CID 173037932

IUPAC(N-diazonioanilino)benzene hexatetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N3.6BF4/c13-14-15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;6*2-1(3,4)5/h1-10H;;;;;;/q+1;6*-1
InChIKeyGMUQIKOIYKFYPP-UHFFFAOYSA-N
MW717.06 g/mol
LogP11.39
Rot. Bonds2

About (N-diazonioanilino)benzene hexatetrafluoroborate

(N-diazonioanilino)benzene hexatetrafluoroborate (PubChem CID 173037932) has the molecular formula C12H10B6F24N3-5 and a molecular weight of 717.06 g/mol. Its IUPAC name is (N-diazonioanilino)benzene hexatetrafluoroborate.

Molecular Properties

Compound Name(N-diazonioanilino)benzene hexatetrafluoroborate
PubChem CID173037932
Molecular FormulaC12H10B6F24N3-5
Molecular Weight717.06 g/mol
Exact Mass718.11
IUPAC Name(N-diazonioanilino)benzene hexatetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]N(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N3.6BF4/c13-14-15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;6*2-1(3,4)5/h1-10H;;;;;;/q+1;6*-1
InChIKeyGMUQIKOIYKFYPP-UHFFFAOYSA-N
XLogP11.39
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.06
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N-diazonioanilino)benzene hexatetrafluoroborate?
The IUPAC name of (N-diazonioanilino)benzene hexatetrafluoroborate (CID 173037932) is (N-diazonioanilino)benzene hexatetrafluoroborate.
What is the SMILES notation for (N-diazonioanilino)benzene hexatetrafluoroborate?
The canonical SMILES for (N-diazonioanilino)benzene hexatetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]N(c1ccccc1)c1ccccc1.
What is the InChIKey of (N-diazonioanilino)benzene hexatetrafluoroborate?
The InChIKey is GMUQIKOIYKFYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N3.6BF4/c13-14-15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;6*2-1(3,4)5/h1-10H;;;;;;/q+1;6*-1.
What are the key properties of (N-diazonioanilino)benzene hexatetrafluoroborate?
(N-diazonioanilino)benzene hexatetrafluoroborate has a molecular weight of 717.06 g/mol, XLogP of 11.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-diazonioanilino)benzene hexatetrafluoroborate is sourced from PubChem (CID 173037932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).