5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

C280H214N8Si3 — CID 162064696

IUPAC5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc3ccc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)cc3cc2C4(c2ccccc2)c2ccccc2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4cccc([Si](C)(C)C)c4)ccc23)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1cc2ccc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)cc2cc1C3(c1ccccc1)c1ccccc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(c3ccccc3)(c3ccccc3)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)ccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C85H58N2.3C65H52N2Si/c1-9-27-59(28-10-1)63-46-51-81(76(54-63)61-31-13-3-14-32-61)86(69-39-21-7-22-40-69)71-48-45-65-56-79-80(57-66(65)53-71)85(67-35-17-5-18-36-67,68-37-19-6-20-38-68)84-75-50-49-72(58-78(75)73-43-25-26-44-74(73)83(79)84)87(70-41-23-8-24-42-70)82-52-47-64(60-29-11-2-12-30-60)55-77(82)62-33-15-4-16-34-62;1-45-23-17-20-34-60(45)66(50-28-13-7-14-29-50)53-39-40-56-57(44-53)54-32-18-19-33-55(54)63-58-42-46-37-38-52(67(51-30-15-8-16-31-51)61-35-21-22-36-62(61)68(2,3)4)41-47(46)43-59(58)65(64(56)63,48-24-9-5-10-25-48)49-26-11-6-12-27-49;1-45-21-19-30-52(39-45)66(50-26-13-7-14-27-50)54-36-35-46-41-61-62(42-47(46)40-54)65(48-22-9-5-10-23-48,49-24-11-6-12-25-49)64-59-38-37-55(44-60(59)57-33-17-18-34-58(57)63(61)64)67(51-28-15-8-16-29-51)53-31-20-32-56(43-53)68(2,3)4;1-45-29-32-52(33-30-45)67(51-25-15-8-16-26-51)55-37-40-59-60(44-55)57-27-17-18-28-58(57)63-61-42-46-31-34-54(66(50-23-13-7-14-24-50)53-35-38-56(39-36-53)68(2,3)4)41-47(46)43-62(61)65(64(59)63,48-19-9-5-10-20-48)49-21-11-6-12-22-49/h1-58H;3*5-44H,1-4H3
InChIKeyZAHNFFGAJAGBAR-UHFFFAOYSA-N
MW3775.11 g/mol
LogP75.02
Rot. Bonds39

About 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (PubChem CID 162064696) has the molecular formula C280H214N8Si3 and a molecular weight of 3775.11 g/mol. Its IUPAC name is 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

Molecular Properties

Compound Name5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
PubChem CID162064696
Molecular FormulaC280H214N8Si3
Molecular Weight3775.11 g/mol
Exact Mass3771.63
IUPAC Name5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc3ccc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)cc3cc2C4(c2ccccc2)c2ccccc2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4cccc([Si](C)(C)C)c4)ccc23)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1cc2ccc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)cc2cc1C3(c1ccccc1)c1ccccc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(c3ccccc3)(c3ccccc3)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)ccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C85H58N2.3C65H52N2Si/c1-9-27-59(28-10-1)63-46-51-81(76(54-63)61-31-13-3-14-32-61)86(69-39-21-7-22-40-69)71-48-45-65-56-79-80(57-66(65)53-71)85(67-35-17-5-18-36-67,68-37-19-6-20-38-68)84-75-50-49-72(58-78(75)73-43-25-26-44-74(73)83(79)84)87(70-41-23-8-24-42-70)82-52-47-64(60-29-11-2-12-30-60)55-77(82)62-33-15-4-16-34-62;1-45-23-17-20-34-60(45)66(50-28-13-7-14-29-50)53-39-40-56-57(44-53)54-32-18-19-33-55(54)63-58-42-46-37-38-52(67(51-30-15-8-16-31-51)61-35-21-22-36-62(61)68(2,3)4)41-47(46)43-59(58)65(64(56)63,48-24-9-5-10-25-48)49-26-11-6-12-27-49;1-45-21-19-30-52(39-45)66(50-26-13-7-14-27-50)54-36-35-46-41-61-62(42-47(46)40-54)65(48-22-9-5-10-23-48,49-24-11-6-12-25-49)64-59-38-37-55(44-60(59)57-33-17-18-34-58(57)63(61)64)67(51-28-15-8-16-29-51)53-31-20-32-56(43-53)68(2,3)4;1-45-29-32-52(33-30-45)67(51-25-15-8-16-26-51)55-37-40-59-60(44-55)57-27-17-18-28-58(57)63-61-42-46-31-34-54(66(50-23-13-7-14-24-50)53-35-38-56(39-36-53)68(2,3)4)41-47(46)43-62(61)65(64(59)63,48-19-9-5-10-20-48)49-21-11-6-12-22-49/h1-58H;3*5-44H,1-4H3
InChIKeyZAHNFFGAJAGBAR-UHFFFAOYSA-N
XLogP75.02
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds39
Heavy Atoms291
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003775.11
LogP ≤ 575.02
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 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The IUPAC name of 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (CID 162064696) is 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.
What is the SMILES notation for 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The canonical SMILES for 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is Cc1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2cc3ccc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)cc3cc2C4(c2ccccc2)c2ccccc2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4cccc([Si](C)(C)C)c4)ccc23)c1.Cc1ccccc1N(c1ccccc1)c1ccc2c3c(c4ccccc4c2c1)-c1cc2ccc(N(c4ccccc4)c4ccccc4[Si](C)(C)C)cc2cc1C3(c1ccccc1)c1ccccc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(c3ccccc3)(c3ccccc3)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)ccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The InChIKey is ZAHNFFGAJAGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H58N2.3C65H52N2Si/c1-9-27-59(28-10-1)63-46-51-81(76(54-63)61-31-13-3-14-32-61)86(69-39-21-7-22-40-69)71-48-45-65-56-79-80(57-66(65)53-71)85(67-35-17-5-18-36-67,68-37-19-6-20-38-68)84-75-50-49-72(58-78(75)73-43-25-26-44-74(73)83(79)84)87(70-41-23-8-24-42-70)82-52-47-64(60-29-11-2-12-30-60)55-77(82)62-33-15-4-16-34-62;1-45-23-17-20-34-60(45)66(50-28-13-7-14-29-50)53-39-40-56-57(44-53)54-32-18-19-33-55(54)63-58-42-46-37-38-52(67(51-30-15-8-16-31-51)61-35-21-22-36-62(61)68(2,3)4)41-47(46)43-59(58)65(64(56)63,48-24-9-5-10-25-48)49-26-11-6-12-27-49;1-45-21-19-30-52(39-45)66(50-26-13-7-14-27-50)54-36-35-46-41-61-62(42-47(46)40-54)65(48-22-9-5-10-23-48,49-24-11-6-12-25-49)64-59-38-37-55(44-60(59)57-33-17-18-34-58(57)63(61)64)67(51-28-15-8-16-29-51)53-31-20-32-56(43-53)68(2,3)4;1-45-29-32-52(33-30-45)67(51-25-15-8-16-26-51)55-37-40-59-60(44-55)57-27-17-18-28-58(57)63-61-42-46-31-34-54(66(50-23-13-7-14-24-50)53-35-38-56(39-36-53)68(2,3)4)41-47(46)43-62(61)65(64(59)63,48-19-9-5-10-20-48)49-21-11-6-12-22-49/h1-58H;3*5-44H,1-4H3.
What are the key properties of 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine has a molecular weight of 3775.11 g/mol, XLogP of 75.02, 39 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,20-N-bis(2,4-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(2-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(2-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N-(4-methylphenyl)-5-N,20-N,25,25-tetraphenyl-20-N-(4-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;20-N-(3-methylphenyl)-5-N,20-N,25,25-tetraphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is sourced from PubChem (CID 162064696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).