6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline

C29H30N4 — CID 102160383

IUPAC6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESCC(C)(C)c1ccc(-n2c3nc(-c4ccccc4)nc-3nc3ccc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C29H30N4/c1-28(2,3)20-12-15-22(16-13-20)33-24-18-21(29(4,5)6)14-17-23(24)30-26-27(33)32-25(31-26)19-10-8-7-9-11-19/h7-18H,1-6H3
InChIKeyWWBDXDNLSNDJIF-UHFFFAOYSA-N
MW434.59 g/mol
LogP7.18
Rot. Bonds2

About 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline

6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline (PubChem CID 102160383) has the molecular formula C29H30N4 and a molecular weight of 434.59 g/mol. Its IUPAC name is 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
PubChem CID102160383
Molecular FormulaC29H30N4
Molecular Weight434.59 g/mol
Exact Mass434.25
IUPAC Name6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESCC(C)(C)c1ccc(-n2c3nc(-c4ccccc4)nc-3nc3ccc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C29H30N4/c1-28(2,3)20-12-15-22(16-13-20)33-24-18-21(29(4,5)6)14-17-23(24)30-26-27(33)32-25(31-26)19-10-8-7-9-11-19/h7-18H,1-6H3
InChIKeyWWBDXDNLSNDJIF-UHFFFAOYSA-N
XLogP7.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The IUPAC name of 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline (CID 102160383) is 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline is CC(C)(C)c1ccc(-n2c3nc(-c4ccccc4)nc-3nc3ccc(C(C)(C)C)cc32)cc1.
What is the InChIKey of 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The InChIKey is WWBDXDNLSNDJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4/c1-28(2,3)20-12-15-22(16-13-20)33-24-18-21(29(4,5)6)14-17-23(24)30-26-27(33)32-25(31-26)19-10-8-7-9-11-19/h7-18H,1-6H3.
What are the key properties of 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline?
6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline has a molecular weight of 434.59 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(4-tert-butylphenyl)-2-phenylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 102160383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).