12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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

C₃₄₀H₂₇₈N₁₂O₈Si₄ — CID 158117837

About 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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 (PubChem CID 158117837) has the molecular formula C₃₄₀H₂₇₈N₁₂O₈Si₄ and a molecular weight of 4772.38 g/mol. Its IUPAC name is 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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.

Molecular Properties

• Compound Name: 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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
• PubChem CID: 158117837
• Molecular Formula: C₃₄₀H₂₇₈N₁₂O₈Si₄
• Molecular Weight: 4772.38 g/mol
• Exact Mass: 4768.08
• IUPAC Name: 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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
• SMILES: CC(C)(C)c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.CC(C)(C)c1ccc(N(c2ccc3ccccc3c2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5ccccc5c4)c4oc5ccccc5c24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc([Si](C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C95H71N3O2.C83H61N3O2.C83H73N3O2.C79H73N3O2Si4/c1-93(2,3)64-46-54-69(55-47-64)96(67-50-42-62(43-51-67)73-34-22-26-60-24-10-12-30-71(60)73)83-58-79-89(87-75-32-14-20-40-85(75)99-91(83)87)90-80(95(79)77-36-16-18-38-81(77)98(66-28-8-7-9-29-66)82-39-19-17-37-78(82)95)59-84(92-88(90)76-33-15-21-41-86(76)100-92)97(70-56-48-65(49-57-70)94(4,5)6)68-52-44-63(45-53-68)74-35-23-27-61-25-11-13-31-72(61)74;1-81(2,3)54-36-42-56(43-37-54)84(58-40-34-50-20-7-9-22-52(50)46-58)70-48-66-76(74-62-25-12-17-32-72(62)87-79(70)74)77-67(83(66)64-28-14-16-31-69(64)86-68-30-15-11-24-60(68)61-27-19-29-65(83)78(61)86)49-71(80-75(77)63-26-13-18-33-73(63)88-80)85(57-44-38-55(39-45-57)82(4,5)6)59-41-35-51-21-8-10-23-53(51)47-59;1-79(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;1-85(2,3)54-40-32-50(33-41-54)80(51-34-42-55(43-35-51)86(4,5)6)68-48-65-75(78-72(68)60-23-14-19-30-70(60)84-78)74-64(79(65)62-26-16-18-29-67(62)82-66-28-17-13-22-58(66)59-25-21-27-63(79)76(59)82)49-69(77-73(74)61-24-15-20-31-71(61)83-77)81(52-36-44-56(45-37-52)87(7,8)9)53-38-46-57(47-39-53)88(10,11)12/h7-59H,1-6H3;7-49H,1-6H3;2*13-49H,1-12H3
• InChIKey: FRFSKHZREZAWSN-UHFFFAOYSA-N
• XLogP: 93.67
• TPSA: 149.07 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 364
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4772.38
LogP ≤ 5	93.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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?

The IUPAC name of 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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 (CID 158117837) is 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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.

What is the SMILES notation for 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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?

The canonical SMILES for 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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 is CC(C)(C)c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(C(C)(C)C)cc4)c4oc5ccccc5c24)C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.CC(C)(C)c1ccc(N(c2ccc3ccccc3c2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5ccccc5c4)c4oc5ccccc5c24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc([Si](C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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?

The InChIKey is FRFSKHZREZAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H71N3O2.C83H61N3O2.C83H73N3O2.C79H73N3O2Si4/c1-93(2,3)64-46-54-69(55-47-64)96(67-50-42-62(43-51-67)73-34-22-26-60-24-10-12-30-71(60)73)83-58-79-89(87-75-32-14-20-40-85(75)99-91(83)87)90-80(95(79)77-36-16-18-38-81(77)98(66-28-8-7-9-29-66)82-39-19-17-37-78(82)95)59-84(92-88(90)76-33-15-21-41-86(76)100-92)97(70-56-48-65(49-57-70)94(4,5)6)68-52-44-63(45-53-68)74-35-23-27-61-25-11-13-31-72(61)74;1-81(2,3)54-36-42-56(43-37-54)84(58-40-34-50-20-7-9-22-52(50)46-58)70-48-66-76(74-62-25-12-17-32-72(62)87-79(70)74)77-67(83(66)64-28-14-16-31-69(64)86-68-30-15-11-24-60(68)61-27-19-29-65(83)78(61)86)49-71(80-75(77)63-26-13-18-33-73(63)88-80)85(57-44-38-55(39-45-57)82(4,5)6)59-41-35-51-21-8-10-23-53(51)47-59;1-79(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;1-85(2,3)54-40-32-50(33-41-54)80(51-34-42-55(43-35-51)86(4,5)6)68-48-65-75(78-72(68)60-23-14-19-30-70(60)84-78)74-64(79(65)62-26-16-18-29-67(62)82-66-28-17-13-22-58(66)59-25-21-27-63(79)76(59)82)49-69(77-73(74)61-24-15-20-31-71(61)83-77)81(52-36-44-56(45-37-52)87(7,8)9)53-38-46-57(47-39-53)88(10,11)12/h7-59H,1-6H3;7-49H,1-6H3;2*13-49H,1-12H3.

What are the key properties of 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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 has a molecular weight of 4772.38 g/mol, XLogP of 93.67, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(4-naphthalen-1-ylphenyl)-10'-phenylspiro[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-15,9'-acridine]-12,18-diamine;12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-dinaphthalen-2-ylspiro[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',12-N',18-N',18-N'-tetrakis(4-tert-butylphenyl)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'-10,26-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-trimethylsilylphenyl)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'-10,26-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 is sourced from PubChem (CID 158117837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158117837 — identifiers, structure, computed properties (public domain)

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