25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

C250H252N8Si4 — CID 158386549

IUPAC25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc3c2C4(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc3c2C4(C(C)(C)C)C(C)(C)C)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc3c3ccccc23)C4(C(C)(C)C)C(C)(C)C)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C3(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C67H72N2Si.3C61H60N2Si/c1-43(2)46-21-28-50(29-22-46)68(52-32-36-55(37-33-52)70(12,13)14)53-34-39-56-48(41-53)25-38-60-62-58-18-16-15-17-57(58)61-42-54(35-40-59(61)64(62)67(63(56)60,65(6,7)8)66(9,10)11)69(49-26-19-45(5)20-27-49)51-30-23-47(24-31-51)44(3)4;1-41-23-17-20-30-53(41)62(43-24-13-11-14-25-43)46-35-38-50-52(40-46)48-28-18-19-29-49(48)56-51-36-33-42-39-45(34-37-47(42)57(51)61(58(50)56,59(2,3)4)60(5,6)7)63(44-26-15-12-16-27-44)54-31-21-22-32-55(54)64(8,9)10;1-41-21-19-26-45(37-41)62(43-22-13-11-14-23-43)47-32-35-50-42(38-47)31-34-54-56-52-30-18-17-29-51(52)55-40-48(33-36-53(55)58(56)61(57(50)54,59(2,3)4)60(5,6)7)63(44-24-15-12-16-25-44)46-27-20-28-49(39-46)64(8,9)10;1-41-25-28-45(29-26-41)63(44-21-15-12-16-22-44)48-33-38-53-55(40-48)51-23-17-18-24-52(51)56-54-36-27-42-39-47(32-37-50(42)57(54)61(58(53)56,59(2,3)4)60(5,6)7)62(43-19-13-11-14-20-43)46-30-34-49(35-31-46)64(8,9)10/h15-44H,1-14H3;3*11-40H,1-10H3
InChIKeyGWLASKKSGGLUNJ-UHFFFAOYSA-N
MW3481.17 g/mol
LogP71.44
Rot. Bonds30

About 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (PubChem CID 158386549) 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,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.

Molecular Properties

Compound Name25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
PubChem CID158386549
Molecular FormulaC250H252N8Si4
Molecular Weight3481.17 g/mol
Exact Mass3477.90
IUPAC Name25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc3c2C4(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc3c2C4(C(C)(C)C)C(C)(C)C)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc3c3ccccc23)C4(C(C)(C)C)C(C)(C)C)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C3(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C67H72N2Si.3C61H60N2Si/c1-43(2)46-21-28-50(29-22-46)68(52-32-36-55(37-33-52)70(12,13)14)53-34-39-56-48(41-53)25-38-60-62-58-18-16-15-17-57(58)61-42-54(35-40-59(61)64(62)67(63(56)60,65(6,7)8)66(9,10)11)69(49-26-19-45(5)20-27-49)51-30-23-47(24-31-51)44(3)4;1-41-23-17-20-30-53(41)62(43-24-13-11-14-25-43)46-35-38-50-52(40-46)48-28-18-19-29-49(48)56-51-36-33-42-39-45(34-37-47(42)57(51)61(58(50)56,59(2,3)4)60(5,6)7)63(44-26-15-12-16-27-44)54-31-21-22-32-55(54)64(8,9)10;1-41-21-19-26-45(37-41)62(43-22-13-11-14-23-43)47-32-35-50-42(38-47)31-34-54-56-52-30-18-17-29-51(52)55-40-48(33-36-53(55)58(56)61(57(50)54,59(2,3)4)60(5,6)7)63(44-24-15-12-16-25-44)46-27-20-28-49(39-46)64(8,9)10;1-41-25-28-45(29-26-41)63(44-21-15-12-16-22-44)48-33-38-53-55(40-48)51-23-17-18-24-52(51)56-54-36-27-42-39-47(32-37-50(42)57(54)61(58(53)56,59(2,3)4)60(5,6)7)62(43-19-13-11-14-20-43)46-30-34-49(35-31-46)64(8,9)10/h15-44H,1-14H3;3*11-40H,1-10H3
InChIKeyGWLASKKSGGLUNJ-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,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The IUPAC name of 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (CID 158386549) is 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.
What is the SMILES notation for 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The canonical SMILES for 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc3c2C4(C(C)(C)C)C(C)(C)C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc3c2C4(C(C)(C)C)C(C)(C)C)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc3c3ccccc23)C4(C(C)(C)C)C(C)(C)C)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc2c1C3(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
The InChIKey is GWLASKKSGGLUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H72N2Si.3C61H60N2Si/c1-43(2)46-21-28-50(29-22-46)68(52-32-36-55(37-33-52)70(12,13)14)53-34-39-56-48(41-53)25-38-60-62-58-18-16-15-17-57(58)61-42-54(35-40-59(61)64(62)67(63(56)60,65(6,7)8)66(9,10)11)69(49-26-19-45(5)20-27-49)51-30-23-47(24-31-51)44(3)4;1-41-23-17-20-30-53(41)62(43-24-13-11-14-25-43)46-35-38-50-52(40-46)48-28-18-19-29-49(48)56-51-36-33-42-39-45(34-37-47(42)57(51)61(58(50)56,59(2,3)4)60(5,6)7)63(44-26-15-12-16-27-44)54-31-21-22-32-55(54)64(8,9)10;1-41-21-19-26-45(37-41)62(43-22-13-11-14-23-43)47-32-35-50-42(38-47)31-34-54-56-52-30-18-17-29-51(52)55-40-48(33-36-53(55)58(56)61(57(50)54,59(2,3)4)60(5,6)7)63(44-24-15-12-16-25-44)46-27-20-28-49(39-46)64(8,9)10;1-41-25-28-45(29-26-41)63(44-21-15-12-16-22-44)48-33-38-53-55(40-48)51-23-17-18-24-52(51)56-54-36-27-42-39-47(32-37-50(42)57(54)61(58(53)56,59(2,3)4)60(5,6)7)62(43-19-13-11-14-20-43)46-30-34-49(35-31-46)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,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?
25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-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,20-N-bis(4-propan-2-ylphenyl)-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(2-methylphenyl)-5-N,20-N-diphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N-(4-methylphenyl)-5-N,20-N-diphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is sourced from PubChem (CID 158386549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).