(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene

C50H39N5O2 — CID 22625442

IUPAC(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19N3O2.C25H20N2/c29-28(30)24-18-16-23(17-19-24)26-27-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)27-26-24-19-11-4-12-20-24/h1-19H;1-20H/b2*27-26+
InChIKeyURQLVUGJCBEEMK-MSOIYACKSA-N
MW741.90 g/mol
LogP13.43
Rot. Bonds11

About (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene

(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene (PubChem CID 22625442) has the molecular formula C50H39N5O2 and a molecular weight of 741.90 g/mol. Its IUPAC name is (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene.

Molecular Properties

Compound Name(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene
PubChem CID22625442
Molecular FormulaC50H39N5O2
Molecular Weight741.90 g/mol
Exact Mass741.31
IUPAC Name(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19N3O2.C25H20N2/c29-28(30)24-18-16-23(17-19-24)26-27-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)27-26-24-19-11-4-12-20-24/h1-19H;1-20H/b2*27-26+
InChIKeyURQLVUGJCBEEMK-MSOIYACKSA-N
XLogP13.43
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.43
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': '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

(4-nitrophenyl)-phenyldiazene
CID 17222
1-nitro-4-(1,1,2,2-tetrabromo-2-phenylethyl)benzene
CID 4025193
methyl-(4-nitrophenyl)diazene
CID 20760343
(4-nitrophenyl)-(2-phenylethynyl)diazene
CID 134901679
4-methylbenzenesulfonic acid;(4-nitrophenyl)-phenyldiazene
CID 174911853
1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene
CID 70479736
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
calcium nitrobenzene
CID 67916702
azane;nitrobenzene
CID 23197461
benzene;iron;nitrobenzene
CID 174446919
arsane;nitrobenzene
CID 174282180

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene?
The IUPAC name of (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene (CID 22625442) is (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene.
What is the SMILES notation for (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene?
The canonical SMILES for (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene is O=[N+]([O-])c1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene?
The InChIKey is URQLVUGJCBEEMK-MSOIYACKSA-N. The full InChI is InChI=1S/C25H19N3O2.C25H20N2/c29-28(30)24-18-16-23(17-19-24)26-27-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)27-26-24-19-11-4-12-20-24/h1-19H;1-20H/b2*27-26+.
What are the key properties of (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene?
(4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene has a molecular weight of 741.90 g/mol, XLogP of 13.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-trityldiazene;phenyl(trityl)diazene is sourced from PubChem (CID 22625442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).