5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

C205H252B2Br4N10O9 — CID 158251243

About 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 158251243) has the molecular formula C205H252B2Br4N10O9 and a molecular weight of 3341.57 g/mol. Its IUPAC name is 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• PubChem CID: 158251243
• Molecular Formula: C205H252B2Br4N10O9
• Molecular Weight: 3341.57 g/mol
• Exact Mass: 3335.65
• IUPAC Name: 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• SMILES: C.C.C.C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCCCCCC(CCCCCC)COc1ccc2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1CC(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)Cn1c(-c2ccc(OCCOc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)nc2c3cc(-c4ccc(C)cc4)ccc3c3ccc(C)cc3c21.CCCCCCCCC(CCCCCC)Cn1c(-c2ccc(OCCOc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)nc2c3cc(Br)ccc3c3ccc(Br)cc3c21
• InChI: InChI=1S/C67H70N4O2.C59H60Br2N4O2.C57H78Br2N2O.C18H28B2O4.4CH4/c1-5-7-9-11-12-16-22-49(21-15-10-8-6-2)46-71-66-60-43-48(4)29-38-58(60)57-39-34-54(50-30-27-47(3)28-31-50)44-59(57)65(66)70-67(71)53-32-35-55(36-33-53)72-41-42-73-56-37-40-61-62(45-56)69-64(52-25-19-14-20-26-52)63(68-61)51-23-17-13-18-24-51;1-3-5-7-9-10-14-20-41(19-13-8-6-4-2)40-65-58-52-38-46(61)28-33-50(52)49-32-27-45(60)37-51(49)57(58)64-59(65)44-25-29-47(30-26-44)66-35-36-67-48-31-34-53-54(39-48)63-56(43-23-17-12-18-24-43)55(62-53)42-21-15-11-16-22-42;1-5-9-13-17-19-23-28-43(27-21-15-11-7-3)41-61-56-52-40-47(59)35-37-50(52)49-36-34-46(58)39-51(49)55(56)60-57(61)54-48-32-26-25-31-45(48)33-38-53(54)62-42-44(29-22-16-12-8-4)30-24-20-18-14-10-6-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;;;/h13-14,17-20,23-40,43-45,49H,5-12,15-16,21-22,41-42,46H2,1-4H3;11-12,15-18,21-34,37-39,41H,3-10,13-14,19-20,35-36,40H2,1-2H3;25-26,31-40,43-44H,5-24,27-30,41-42H2,1-4H3;9-12H,1-8H3;4*1H4
• InChIKey: GGSWHWBRSFPVGH-UHFFFAOYSA-N
• XLogP: 60.54
• TPSA: 188.09 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 77
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3341.57
LogP ≤ 5	60.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (CID 158251243) is 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is C.C.C.C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCCCCCC(CCCCCC)COc1ccc2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1CC(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)Cn1c(-c2ccc(OCCOc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)nc2c3cc(-c4ccc(C)cc4)ccc3c3ccc(C)cc3c21.CCCCCCCCC(CCCCCC)Cn1c(-c2ccc(OCCOc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)nc2c3cc(Br)ccc3c3ccc(Br)cc3c21.

What is the InChIKey of 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is GGSWHWBRSFPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H70N4O2.C59H60Br2N4O2.C57H78Br2N2O.C18H28B2O4.4CH4/c1-5-7-9-11-12-16-22-49(21-15-10-8-6-2)46-71-66-60-43-48(4)29-38-58(60)57-39-34-54(50-30-27-47(3)28-31-50)44-59(57)65(66)70-67(71)53-32-35-55(36-33-53)72-41-42-73-56-37-40-61-62(45-56)69-64(52-25-19-14-20-26-52)63(68-61)51-23-17-13-18-24-51;1-3-5-7-9-10-14-20-41(19-13-8-6-4-2)40-65-58-52-38-46(61)28-33-50(52)49-32-27-45(60)37-51(49)57(58)64-59(65)44-25-29-47(30-26-44)66-35-36-67-48-31-34-53-54(39-48)63-56(43-23-17-12-18-24-43)55(62-53)42-21-15-11-16-22-42;1-5-9-13-17-19-23-28-43(27-21-15-11-7-3)41-61-56-52-40-47(59)35-37-50(52)49-36-34-46(58)39-51(49)55(56)60-57(61)54-48-32-26-25-31-45(48)33-38-53(54)62-42-44(29-22-16-12-8-4)30-24-20-18-14-10-6-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;;;/h13-14,17-20,23-40,43-45,49H,5-12,15-16,21-22,41-42,46H2,1-4H3;11-12,15-18,21-34,37-39,41H,3-10,13-14,19-20,35-36,40H2,1-2H3;25-26,31-40,43-44H,5-24,27-30,41-42H2,1-4H3;9-12H,1-8H3;4*1H4.

What are the key properties of 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?

5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 3341.57 g/mol, XLogP of 60.54, 77 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-dibromo-2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;5,10-dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole;2-[4-[2-(2,3-diphenylquinoxalin-6-yl)oxyethoxy]phenyl]-1-(2-hexyldecyl)-10-methyl-5-(4-methylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158251243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).