25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

C250H252N8Si4 — CID 162050487

IUPAC25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccc(C(C)C)cc3)c3ccc([Si](C)(C)C)cc3)c3ccccc23)C4(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)c3ccccc23)C4(C(C)(C)C)C(C)(C)C)cc1.Cc1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4c4ccccc24)C3(C(C)(C)C)C(C)(C)C)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1c(cc(N(c2ccccc2)c2ccccc2[Si](C)(C)C)c2ccccc12)C3(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C67H72N2Si.3C61H60N2Si/c1-43(2)46-25-31-49(32-26-46)68(48-29-23-45(5)24-30-48)52-37-40-58-59(41-52)54-19-15-17-21-56(54)63-62-57-22-18-16-20-55(57)61(42-60(62)67(64(58)63,65(6,7)8)66(9,10)11)69(50-33-27-47(28-34-50)44(3)4)51-35-38-53(39-36-51)70(12,13)14;1-41-25-17-22-34-52(41)62(42-26-13-11-14-27-42)44-37-38-49-50(39-44)45-30-18-20-32-47(45)57-56-48-33-21-19-31-46(48)54(40-51(56)61(58(49)57,59(2,3)4)60(5,6)7)63(43-28-15-12-16-29-43)53-35-23-24-36-55(53)64(8,9)10;1-41-23-21-28-44(37-41)63(43-26-15-12-16-27-43)55-40-54-56(51-34-20-18-32-49(51)55)57-50-33-19-17-31-48(50)53-39-46(35-36-52(53)58(57)61(54,59(2,3)4)60(5,6)7)62(42-24-13-11-14-25-42)45-29-22-30-47(38-45)64(8,9)10;1-41-29-31-44(32-30-41)62(42-21-13-11-14-22-42)46-35-38-52-53(39-46)48-25-17-19-27-50(48)57-56-51-28-20-18-26-49(51)55(40-54(56)61(58(52)57,59(2,3)4)60(5,6)7)63(43-23-15-12-16-24-43)45-33-36-47(37-34-45)64(8,9)10/h15-44H,1-14H3;3*11-40H,1-10H3
InChIKeyYYMGFDASMNERJP-UHFFFAOYSA-N
MW3481.17 g/mol
LogP71.44
Rot. Bonds30

About 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (PubChem CID 162050487) has the molecular formula C250H252N8Si4 and a molecular weight of 3481.17 g/mol. Its IUPAC name is 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.

Molecular Properties

Compound Name25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
PubChem CID162050487
Molecular FormulaC250H252N8Si4
Molecular Weight3481.17 g/mol
Exact Mass3477.90
IUPAC Name25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccc(C(C)C)cc3)c3ccc([Si](C)(C)C)cc3)c3ccccc23)C4(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)c3ccccc23)C4(C(C)(C)C)C(C)(C)C)cc1.Cc1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4c4ccccc24)C3(C(C)(C)C)C(C)(C)C)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1c(cc(N(c2ccccc2)c2ccccc2[Si](C)(C)C)c2ccccc12)C3(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C67H72N2Si.3C61H60N2Si/c1-43(2)46-25-31-49(32-26-46)68(48-29-23-45(5)24-30-48)52-37-40-58-59(41-52)54-19-15-17-21-56(54)63-62-57-22-18-16-20-55(57)61(42-60(62)67(64(58)63,65(6,7)8)66(9,10)11)69(50-33-27-47(28-34-50)44(3)4)51-35-38-53(39-36-51)70(12,13)14;1-41-25-17-22-34-52(41)62(42-26-13-11-14-27-42)44-37-38-49-50(39-44)45-30-18-20-32-47(45)57-56-48-33-21-19-31-46(48)54(40-51(56)61(58(49)57,59(2,3)4)60(5,6)7)63(43-28-15-12-16-29-43)53-35-23-24-36-55(53)64(8,9)10;1-41-23-21-28-44(37-41)63(43-26-15-12-16-27-43)55-40-54-56(51-34-20-18-32-49(51)55)57-50-33-19-17-31-48(50)53-39-46(35-36-52(53)58(57)61(54,59(2,3)4)60(5,6)7)62(42-24-13-11-14-25-42)45-29-22-30-47(38-45)64(8,9)10;1-41-29-31-44(32-30-41)62(42-21-13-11-14-22-42)46-35-38-52-53(39-46)48-25-17-19-27-50(48)57-56-51-28-20-18-26-49(51)55(40-54(56)61(58(52)57,59(2,3)4)60(5,6)7)63(43-23-15-12-16-24-43)45-33-36-47(37-34-45)64(8,9)10/h15-44H,1-14H3;3*11-40H,1-10H3
InChIKeyYYMGFDASMNERJP-UHFFFAOYSA-N
XLogP71.44
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms262
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003481.17
LogP ≤ 571.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The IUPAC name of 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (CID 162050487) is 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.
What is the SMILES notation for 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The canonical SMILES for 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccc(C(C)C)cc3)c3ccc([Si](C)(C)C)cc3)c3ccccc23)C4(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2c(cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)c3ccccc23)C4(C(C)(C)C)C(C)(C)C)cc1.Cc1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4c4ccccc24)C3(C(C)(C)C)C(C)(C)C)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1c(cc(N(c2ccccc2)c2ccccc2[Si](C)(C)C)c2ccccc12)C3(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The InChIKey is YYMGFDASMNERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H72N2Si.3C61H60N2Si/c1-43(2)46-25-31-49(32-26-46)68(48-29-23-45(5)24-30-48)52-37-40-58-59(41-52)54-19-15-17-21-56(54)63-62-57-22-18-16-20-55(57)61(42-60(62)67(64(58)63,65(6,7)8)66(9,10)11)69(50-33-27-47(28-34-50)44(3)4)51-35-38-53(39-36-51)70(12,13)14;1-41-25-17-22-34-52(41)62(42-26-13-11-14-27-42)44-37-38-49-50(39-44)45-30-18-20-32-47(45)57-56-48-33-21-19-31-46(48)54(40-51(56)61(58(49)57,59(2,3)4)60(5,6)7)63(43-28-15-12-16-29-43)53-35-23-24-36-55(53)64(8,9)10;1-41-23-21-28-44(37-41)63(43-26-15-12-16-27-43)55-40-54-56(51-34-20-18-32-49(51)55)57-50-33-19-17-31-48(50)53-39-46(35-36-52(53)58(57)61(54,59(2,3)4)60(5,6)7)62(42-24-13-11-14-25-42)45-29-22-30-47(38-45)64(8,9)10;1-41-29-31-44(32-30-41)62(42-21-13-11-14-22-42)46-35-38-52-53(39-46)48-25-17-19-27-50(48)57-56-51-28-20-18-26-49(51)55(40-54(56)61(58(52)57,59(2,3)4)60(5,6)7)63(43-23-15-12-16-24-43)45-33-36-47(37-34-45)64(8,9)10/h15-44H,1-14H3;3*11-40H,1-10H3.
What are the key properties of 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine has a molecular weight of 3481.17 g/mol, XLogP of 71.44, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-bis(4-propan-2-ylphenyl)-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,22-N-diphenyl-22-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,22-N-diphenyl-22-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine;25,25-ditert-butyl-22-N-(3-methylphenyl)-5-N,22-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is sourced from PubChem (CID 162050487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).