(4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene

C30H26N4 — CID 139971767

IUPAC(4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene
SMILESCCc1ccc(/N=N\c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26N4/c1-2-24-18-20-28(21-19-24)32-33-29-31-22-23-34(29)30(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-23H,2H2,1H3/b33-32-
InChIKeyXLOJKJBQXBACLU-KARKAFJISA-N
MW442.57 g/mol
LogP7.70
Rot. Bonds7

About (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene

(4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene (PubChem CID 139971767) has the molecular formula C30H26N4 and a molecular weight of 442.57 g/mol. Its IUPAC name is (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene.

Molecular Properties

Compound Name(4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene
PubChem CID139971767
Molecular FormulaC30H26N4
Molecular Weight442.57 g/mol
Exact Mass442.22
IUPAC Name(4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene
SMILESCCc1ccc(/N=N\c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26N4/c1-2-24-18-20-28(21-19-24)32-33-29-31-22-23-34(29)30(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-23H,2H2,1H3/b33-32-
InChIKeyXLOJKJBQXBACLU-KARKAFJISA-N
XLogP7.70
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide
CID 59861587
(1-tritylimidazol-2-yl)methanol
CID 11131622
2-(1-tritylimidazol-2-yl)ethanol
CID 22120146
N-[(4-fluoro-3-methylphenyl)methyl]-1-tritylimidazol-2-amine
CID 70851197
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
(1-ethylimidazol-2-yl)-(4-methoxyphenyl)diazene
CID 12984428
(3,5-diethylphenyl)-phenyldiazene
CID 154395321
zinc;bis(N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-methylaniline);tetrachloride
CID 170842119
ethylcyclodecapentaene
CID 90861705
[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
CID 134551069
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
2-(2-methylimidazol-1-yl)-2-phenylbutanoic acid
CID 114994251

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene?
The IUPAC name of (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene (CID 139971767) is (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene.
What is the SMILES notation for (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene?
The canonical SMILES for (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene is CCc1ccc(/N=N\c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene?
The InChIKey is XLOJKJBQXBACLU-KARKAFJISA-N. The full InChI is InChI=1S/C30H26N4/c1-2-24-18-20-28(21-19-24)32-33-29-31-22-23-34(29)30(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-23H,2H2,1H3/b33-32-.
What are the key properties of (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene?
(4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene has a molecular weight of 442.57 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(1-tritylimidazol-2-yl)diazene is sourced from PubChem (CID 139971767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).