2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione

C65H50Cl4N4O2 — CID 176592250

About 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione

2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione (PubChem CID 176592250) has the molecular formula C65H50Cl4N4O2 and a molecular weight of 1060.95 g/mol. Its IUPAC name is 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione.

Molecular Properties

• Compound Name: 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione
• PubChem CID: 176592250
• Molecular Formula: C65H50Cl4N4O2
• Molecular Weight: 1060.95 g/mol
• Exact Mass: 1058.27
• IUPAC Name: 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione
• SMILES: Cc1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)c(N2/C(=C/C=C3C(=O)c4cc(Cl)c(Cl)cc4C3=O)N(c3c(C(C)C)cccc3C(C)C)c3nc4cc(C)c(C)cc4nc32)c(-c2ccc(-c3ccc(Cl)cc3)cc2)c1
• InChI: InChI=1S/C65H50Cl4N4O2/c1-35(2)48-9-8-10-49(36(3)4)60(48)72-59(28-27-50-62(74)53-33-55(68)56(69)34-54(53)63(50)75)73(65-64(72)70-57-31-38(6)39(7)32-58(57)71-65)61-51(44-15-11-40(12-16-44)42-19-23-46(66)24-20-42)29-37(5)30-52(61)45-17-13-41(14-18-45)43-21-25-47(67)26-22-43/h8-36H,1-7H3/b59-28+
• InChIKey: AZGXPQRVDFHINM-JQFNPIJESA-N
• XLogP: 19.22
• TPSA: 66.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1060.95
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione?

The IUPAC name of 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione (CID 176592250) is 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione.

What is the SMILES notation for 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione?

The canonical SMILES for 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione is Cc1cc(-c2ccc(-c3ccc(Cl)cc3)cc2)c(N2/C(=C/C=C3C(=O)c4cc(Cl)c(Cl)cc4C3=O)N(c3c(C(C)C)cccc3C(C)C)c3nc4cc(C)c(C)cc4nc32)c(-c2ccc(-c3ccc(Cl)cc3)cc2)c1.

What is the InChIKey of 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione?

The InChIKey is AZGXPQRVDFHINM-JQFNPIJESA-N. The full InChI is InChI=1S/C65H50Cl4N4O2/c1-35(2)48-9-8-10-49(36(3)4)60(48)72-59(28-27-50-62(74)53-33-55(68)56(69)34-54(53)63(50)75)73(65-64(72)70-57-31-38(6)39(7)32-58(57)71-65)61-51(44-15-11-40(12-16-44)42-19-23-46(66)24-20-42)29-37(5)30-52(61)45-17-13-41(14-18-45)43-21-25-47(67)26-22-43/h8-36H,1-7H3/b59-28+.

What are the key properties of 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione?

2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione has a molecular weight of 1060.95 g/mol, XLogP of 19.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione is sourced from PubChem (CID 176592250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).