(2,3-diisocyanatophenyl)-phenyldiazene

C14H8N4O2 — CID 141212321

IUPAC(2,3-diisocyanatophenyl)-phenyldiazene
SMILESO=C=Nc1cccc(/N=N/c2ccccc2)c1N=C=O
InChIInChI=1S/C14H8N4O2/c19-9-15-12-7-4-8-13(14(12)16-10-20)18-17-11-5-2-1-3-6-11/h1-8H/b18-17+
InChIKeyYSXZADBIOGMFFJ-ISLYRVAYSA-N
MW264.24 g/mol
LogP4.04
Rot. Bonds4

About (2,3-diisocyanatophenyl)-phenyldiazene

(2,3-diisocyanatophenyl)-phenyldiazene (PubChem CID 141212321) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is (2,3-diisocyanatophenyl)-phenyldiazene.

Molecular Properties

Compound Name(2,3-diisocyanatophenyl)-phenyldiazene
PubChem CID141212321
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name(2,3-diisocyanatophenyl)-phenyldiazene
SMILESO=C=Nc1cccc(/N=N/c2ccccc2)c1N=C=O
InChIInChI=1S/C14H8N4O2/c19-9-15-12-7-4-8-13(14(12)16-10-20)18-17-11-5-2-1-3-6-11/h1-8H/b18-17+
InChIKeyYSXZADBIOGMFFJ-ISLYRVAYSA-N
XLogP4.04
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-diisocyanatophenyl)-phenyldiazene?
The IUPAC name of (2,3-diisocyanatophenyl)-phenyldiazene (CID 141212321) is (2,3-diisocyanatophenyl)-phenyldiazene.
What is the SMILES notation for (2,3-diisocyanatophenyl)-phenyldiazene?
The canonical SMILES for (2,3-diisocyanatophenyl)-phenyldiazene is O=C=Nc1cccc(/N=N/c2ccccc2)c1N=C=O.
What is the InChIKey of (2,3-diisocyanatophenyl)-phenyldiazene?
The InChIKey is YSXZADBIOGMFFJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H8N4O2/c19-9-15-12-7-4-8-13(14(12)16-10-20)18-17-11-5-2-1-3-6-11/h1-8H/b18-17+.
What are the key properties of (2,3-diisocyanatophenyl)-phenyldiazene?
(2,3-diisocyanatophenyl)-phenyldiazene has a molecular weight of 264.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diisocyanatophenyl)-phenyldiazene is sourced from PubChem (CID 141212321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).