12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one

C158H134BrN8O6+ — CID 159601011

About 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one

12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one (PubChem CID 159601011) has the molecular formula C158H134BrN8O6+ and a molecular weight of 2320.76 g/mol. Its IUPAC name is 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one.

Molecular Properties

• Compound Name: 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one
• PubChem CID: 159601011
• Molecular Formula: C158H134BrN8O6+
• Molecular Weight: 2320.76 g/mol
• Exact Mass: 2317.96
• IUPAC Name: 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one
• SMILES: CCN1c2ccccc2N(c2ccccc2Br)c2ccccc21.CCN1c2ccccc2N(c2ccccc2C2(O)c3cc(N(c4ccc(C(C)(C)C)cc4)c4cccc(C)c4)c4c(oc5ccccc54)c3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2cccc(C)c2)c2oc4ccccc4c32)c2ccccc21.[CH2+]C(C)(C)c1ccc(N(c2cccc(C)c2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc(C)c4)c4oc5ccccc5c24)C3=O)cc1
• InChI: InChI=1S/C79H68N4O3.C59H49N2O3.C20H17BrN2/c1-10-80-63-31-15-17-33-65(63)83(66-34-18-16-32-64(66)80)62-30-14-13-29-59(62)79(84)60-48-68(82(56-26-22-24-50(3)46-56)54-43-39-52(40-44-54)78(7,8)9)75-72(58-28-12-20-36-70(58)85-75)73(60)74-61(79)47-67(71-57-27-11-19-35-69(57)86-76(71)74)81(55-25-21-23-49(2)45-55)53-41-37-51(38-42-53)77(4,5)6;1-35-15-13-17-41(31-35)60(39-27-23-37(24-28-39)58(3,4)5)47-33-46-54(57-51(47)43-19-9-11-21-49(43)64-57)52-45(55(46)62)34-48(56-53(52)44-20-10-12-22-50(44)63-56)61(42-18-14-16-36(2)32-42)40-29-25-38(26-30-40)59(6,7)8;1-2-22-17-11-5-7-13-19(17)23(16-10-4-3-9-15(16)21)20-14-8-6-12-18(20)22/h11-48,84H,10H2,1-9H3;9-34H,3H2,1-2,4-8H3;3-14H,2H2,1H3/q;+1
• InChIKey: MLMDGGZVZGSNQG-UHFFFAOYSA-N
• XLogP: 44.90
• TPSA: 115.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2320.76
LogP ≤ 5	44.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one?

The IUPAC name of 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one (CID 159601011) is 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one.

What is the SMILES notation for 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one?

The canonical SMILES for 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one is CCN1c2ccccc2N(c2ccccc2Br)c2ccccc21.CCN1c2ccccc2N(c2ccccc2C2(O)c3cc(N(c4ccc(C(C)(C)C)cc4)c4cccc(C)c4)c4c(oc5ccccc54)c3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2cccc(C)c2)c2oc4ccccc4c32)c2ccccc21.[CH2+]C(C)(C)c1ccc(N(c2cccc(C)c2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc(C)c4)c4oc5ccccc5c24)C3=O)cc1.

What is the InChIKey of 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one?

The InChIKey is MLMDGGZVZGSNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H68N4O3.C59H49N2O3.C20H17BrN2/c1-10-80-63-31-15-17-33-65(63)83(66-34-18-16-32-64(66)80)62-30-14-13-29-59(62)79(84)60-48-68(82(56-26-22-24-50(3)46-56)54-43-39-52(40-44-54)78(7,8)9)75-72(58-28-12-20-36-70(58)85-75)73(60)74-61(79)47-67(71-57-27-11-19-35-69(57)86-76(71)74)81(55-25-21-23-49(2)45-55)53-41-37-51(38-42-53)77(4,5)6;1-35-15-13-17-41(31-35)60(39-27-23-37(24-28-39)58(3,4)5)47-33-46-54(57-51(47)43-19-9-11-21-49(43)64-57)52-45(55(46)62)34-48(56-53(52)44-20-10-12-22-50(44)63-56)61(42-18-14-16-36(2)32-42)40-29-25-38(26-30-40)59(6,7)8;1-2-22-17-11-5-7-13-19(17)23(16-10-4-3-9-15(16)21)20-14-8-6-12-18(20)22/h11-48,84H,10H2,1-9H3;9-34H,3H2,1-2,4-8H3;3-14H,2H2,1H3/q;+1;.

What are the key properties of 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one?

12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one has a molecular weight of 2320.76 g/mol, XLogP of 44.90, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12,18-bis(4-tert-butyl-N-(3-methylphenyl)anilino)-15-[2-(10-ethylphenazin-5-yl)phenyl]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol;5-(2-bromophenyl)-10-ethylphenazine;12-(4-tert-butyl-N-(3-methylphenyl)anilino)-18-[N-(3-methylphenyl)-4-(2-methylpropan-2-yl)anilino]-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one is sourced from PubChem (CID 159601011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).