12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine

C308H204N12O12 — CID 162092762

About 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine

12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine (PubChem CID 162092762) has the molecular formula C308H204N12O12 and a molecular weight of 4292.26 g/mol. Its IUPAC name is 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine.

Molecular Properties

• Compound Name: 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine
• PubChem CID: 162092762
• Molecular Formula: C308H204N12O12
• Molecular Weight: 4292.26 g/mol
• Exact Mass: 4288.74
• IUPAC Name: 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine
• SMILES: [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4oc5ccccc5c24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c3c1n2-c1ccccc1C31c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3c(oc4ccccc43)c2-c2c1cc(N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)c1oc3ccccc3c21.c1ccc(N(c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C83H73N3O2.2C79H45N3O4.C67H41N3O2/c1-79(2,3)50-32-40-54(41-33-50)84(55-42-34-51(35-43-55)80(4,5)6)68-48-65-75(78-72(68)60-23-14-19-30-70(60)88-78)74-64(83(65)62-26-16-18-29-67(62)86-66-28-17-13-22-58(66)59-25-21-27-63(83)76(59)86)49-69(77-73(74)61-24-15-20-31-71(61)87-77)85(56-44-36-52(37-45-56)81(7,8)9)57-46-38-53(39-47-57)82(10,11)12;1-3-22-46(23-4-1)80(62-38-20-32-52-49-27-8-15-40-66(49)83-75(52)62)64-44-59-73(78-70(64)54-29-10-17-42-68(54)86-78)72-58(79(59)56-34-12-14-37-61(56)82-60-36-13-7-26-48(60)51-31-19-35-57(79)74(51)82)45-65(77-71(72)55-30-11-18-43-69(55)85-77)81(47-24-5-2-6-25-47)63-39-21-33-53-50-28-9-16-41-67(50)84-76(53)63;1-3-22-46(23-4-1)80(60-36-20-42-68-70(60)50-27-8-15-38-64(50)83-68)62-44-57-75(78-72(62)52-29-10-17-40-66(52)86-78)74-56(79(57)54-32-12-14-35-59(54)82-58-34-13-7-26-48(58)49-31-19-33-55(79)76(49)82)45-63(77-73(74)53-30-11-18-41-67(53)85-77)81(47-24-5-2-6-25-47)61-37-21-43-69-71(61)51-28-9-16-39-65(51)84-69;1-5-22-42(23-6-1)68(43-24-7-2-8-25-43)56-40-52-62(60-48-31-14-19-38-58(48)71-65(56)60)63-53(67(52)50-34-16-18-37-55(50)70-54-36-17-13-30-46(54)47-33-21-35-51(67)64(47)70)41-57(66-61(63)49-32-15-20-39-59(49)72-66)69(44-26-9-3-10-27-44)45-28-11-4-12-29-45/h13-49H,1-12H3;2*1-45H;1-41H/i13D,17D,21D,22D,25D,27D,28D;;;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,22D,23D,24D,25D,26D,27D,28D,29D
• InChIKey: ZDVMCHPPMXYMAU-MVLJUMQLSA-N
• XLogP: 85.58
• TPSA: 203.32 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 332
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4292.26
LogP ≤ 5	85.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine?

The IUPAC name of 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine (CID 162092762) is 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine.

What is the SMILES notation for 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine?

The canonical SMILES for 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine is [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4oc5ccccc5c24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c3c1n2-c1ccccc1C31c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3c(oc4ccccc43)c2-c2c1cc(N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)c1oc3ccccc3c21.c1ccc(N(c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine?

The InChIKey is ZDVMCHPPMXYMAU-MVLJUMQLSA-N. The full InChI is InChI=1S/C83H73N3O2.2C79H45N3O4.C67H41N3O2/c1-79(2,3)50-32-40-54(41-33-50)84(55-42-34-51(35-43-55)80(4,5)6)68-48-65-75(78-72(68)60-23-14-19-30-70(60)88-78)74-64(83(65)62-26-16-18-29-67(62)86-66-28-17-13-22-58(66)59-25-21-27-63(83)76(59)86)49-69(77-73(74)61-24-15-20-31-71(61)87-77)85(56-44-36-52(37-45-56)81(7,8)9)57-46-38-53(39-47-57)82(10,11)12;1-3-22-46(23-4-1)80(62-38-20-32-52-49-27-8-15-40-66(49)83-75(52)62)64-44-59-73(78-70(64)54-29-10-17-42-68(54)86-78)72-58(79(59)56-34-12-14-37-61(56)82-60-36-13-7-26-48(60)51-31-19-35-57(79)74(51)82)45-65(77-71(72)55-30-11-18-43-69(55)85-77)81(47-24-5-2-6-25-47)63-39-21-33-53-50-28-9-16-41-67(50)84-76(53)63;1-3-22-46(23-4-1)80(60-36-20-42-68-70(60)50-27-8-15-38-64(50)83-68)62-44-57-75(78-72(62)52-29-10-17-40-66(52)86-78)74-56(79(57)54-32-12-14-35-59(54)82-58-34-13-7-26-48(58)49-31-19-33-55(79)76(49)82)45-63(77-73(74)53-30-11-18-41-67(53)85-77)81(47-24-5-2-6-25-47)61-37-21-43-69-71(61)51-28-9-16-39-65(51)84-69;1-5-22-42(23-6-1)68(43-24-7-2-8-25-43)56-40-52-62(60-48-31-14-19-38-58(48)71-65(56)60)63-53(67(52)50-34-16-18-37-55(50)70-54-36-17-13-30-46(54)47-33-21-35-51(67)64(47)70)41-57(66-61(63)49-32-15-20-39-59(49)72-66)69(44-26-9-3-10-27-44)45-28-11-4-12-29-45/h13-49H,1-12H3;2*1-45H;1-41H/i13D,17D,21D,22D,25D,27D,28D;;;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,22D,23D,24D,25D,26D,27D,28D,29D.

What are the key properties of 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine?

12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine has a molecular weight of 4292.26 g/mol, XLogP of 85.58, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 12-N',18-N'-di(dibenzofuran-1-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',18-N'-di(dibenzofuran-4-yl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)-3,4,5,6,9,10,11-heptadeuteriospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-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-dodecaene]-12',18'-diamine;12-N',12-N',18-N',18-N'-tetrakis(2,3,4,5,6-pentadeuteriophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene]-12',18'-diamine is sourced from PubChem (CID 162092762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).