(4-bromophenyl)-trityldiazene

C25H19BrN2 — CID 11048207

IUPAC(4-bromophenyl)-trityldiazene
SMILESBrc1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19BrN2/c26-23-16-18-24(19-17-23)27-28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H/b28-27+
InChIKeyINKOVEUKFFRUDP-BYYHNAKLSA-N
MW427.35 g/mol
LogP7.52
Rot. Bonds5

About (4-bromophenyl)-trityldiazene

(4-bromophenyl)-trityldiazene (PubChem CID 11048207) has the molecular formula C25H19BrN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is (4-bromophenyl)-trityldiazene.

Molecular Properties

Compound Name(4-bromophenyl)-trityldiazene
PubChem CID11048207
Molecular FormulaC25H19BrN2
Molecular Weight427.35 g/mol
Exact Mass426.07
IUPAC Name(4-bromophenyl)-trityldiazene
SMILESBrc1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19BrN2/c26-23-16-18-24(19-17-23)27-28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H/b28-27+
InChIKeyINKOVEUKFFRUDP-BYYHNAKLSA-N
XLogP7.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-trityldiazene?
The IUPAC name of (4-bromophenyl)-trityldiazene (CID 11048207) is (4-bromophenyl)-trityldiazene.
What is the SMILES notation for (4-bromophenyl)-trityldiazene?
The canonical SMILES for (4-bromophenyl)-trityldiazene is Brc1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-bromophenyl)-trityldiazene?
The InChIKey is INKOVEUKFFRUDP-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H19BrN2/c26-23-16-18-24(19-17-23)27-28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H/b28-27+.
What are the key properties of (4-bromophenyl)-trityldiazene?
(4-bromophenyl)-trityldiazene has a molecular weight of 427.35 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-trityldiazene is sourced from PubChem (CID 11048207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).