5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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

C274H224N8 — CID 162047549

IUPAC5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.CCc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(CC)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C73H62N2.C69H58N2.C67H54N2.C65H50N2/c1-7-21-51(22-8-1)53-35-40-60(41-36-53)74(58-29-15-5-16-30-58)62-44-47-64-55(49-62)39-46-68-70-66-34-20-19-33-65(66)69-50-63(75(59-31-17-6-18-32-59)61-42-37-54(38-43-61)52-23-9-2-10-24-52)45-48-67(69)72(70)73(71(64)68,56-25-11-3-12-26-56)57-27-13-4-14-28-57;1-67(2,3)48-32-36-54(37-33-48)70(52-25-15-9-16-26-52)56-40-43-58-47(45-56)31-42-62-64-60-30-20-19-29-59(60)63-46-57(71(53-27-17-10-18-28-53)55-38-34-49(35-39-55)68(4,5)6)41-44-61(63)66(64)69(65(58)62,50-21-11-7-12-22-50)51-23-13-8-14-24-51;1-45(2)47-29-34-54(35-30-47)68(52-23-13-7-14-24-52)56-38-41-58-49(43-56)33-40-62-64-60-28-18-17-27-59(60)63-44-57(69(53-25-15-8-16-26-53)55-36-31-48(32-37-55)46(3)4)39-42-61(63)66(64)67(65(58)62,50-19-9-5-10-20-50)51-21-11-6-12-22-51;1-3-45-29-34-52(35-30-45)66(50-23-13-7-14-24-50)54-38-41-56-47(43-54)33-40-60-62-58-28-18-17-27-57(58)61-44-55(67(51-25-15-8-16-26-51)53-36-31-46(4-2)32-37-53)39-42-59(61)64(62)65(63(56)60,48-19-9-5-10-20-48)49-21-11-6-12-22-49/h3-6,11-20,25-52H,1-2,7-10,21-24H2;7-46H,1-6H3;5-46H,1-4H3;5-44H,3-4H2,1-2H3
InChIKeyYYCDXDOVAYBGBS-UHFFFAOYSA-N
MW3628.86 g/mol
LogP75.86
Rot. Bonds38

About 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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

5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 162047549) has the molecular formula C274H224N8 and a molecular weight of 3628.86 g/mol. Its IUPAC name is 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 Name5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 CID162047549
Molecular FormulaC274H224N8
Molecular Weight3628.86 g/mol
Exact Mass3625.78
IUPAC Name5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.CCc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(CC)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C73H62N2.C69H58N2.C67H54N2.C65H50N2/c1-7-21-51(22-8-1)53-35-40-60(41-36-53)74(58-29-15-5-16-30-58)62-44-47-64-55(49-62)39-46-68-70-66-34-20-19-33-65(66)69-50-63(75(59-31-17-6-18-32-59)61-42-37-54(38-43-61)52-23-9-2-10-24-52)45-48-67(69)72(70)73(71(64)68,56-25-11-3-12-26-56)57-27-13-4-14-28-57;1-67(2,3)48-32-36-54(37-33-48)70(52-25-15-9-16-26-52)56-40-43-58-47(45-56)31-42-62-64-60-30-20-19-29-59(60)63-46-57(71(53-27-17-10-18-28-53)55-38-34-49(35-39-55)68(4,5)6)41-44-61(63)66(64)69(65(58)62,50-21-11-7-12-22-50)51-23-13-8-14-24-51;1-45(2)47-29-34-54(35-30-47)68(52-23-13-7-14-24-52)56-38-41-58-49(43-56)33-40-62-64-60-28-18-17-27-59(60)63-44-57(69(53-25-15-8-16-26-53)55-36-31-48(32-37-55)46(3)4)39-42-61(63)66(64)67(65(58)62,50-19-9-5-10-20-50)51-21-11-6-12-22-51;1-3-45-29-34-52(35-30-45)66(50-23-13-7-14-24-50)54-38-41-56-47(43-54)33-40-60-62-58-28-18-17-27-57(58)61-44-55(67(51-25-15-8-16-26-51)53-36-31-46(4-2)32-37-53)39-42-59(61)64(62)65(63(56)60,48-19-9-5-10-20-48)49-21-11-6-12-22-49/h3-6,11-20,25-52H,1-2,7-10,21-24H2;7-46H,1-6H3;5-46H,1-4H3;5-44H,3-4H2,1-2H3
InChIKeyYYCDXDOVAYBGBS-UHFFFAOYSA-N
XLogP75.86
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds38
Heavy Atoms282
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003628.86
LogP ≤ 575.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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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Frequently Asked Questions

What is the IUPAC name of 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 162047549) is 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C(C)C)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.CCc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(CC)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c4c(ccc3c2)-c2c(c3ccc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)cc3c3ccccc23)C4(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 YYCDXDOVAYBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H62N2.C69H58N2.C67H54N2.C65H50N2/c1-7-21-51(22-8-1)53-35-40-60(41-36-53)74(58-29-15-5-16-30-58)62-44-47-64-55(49-62)39-46-68-70-66-34-20-19-33-65(66)69-50-63(75(59-31-17-6-18-32-59)61-42-37-54(38-43-61)52-23-9-2-10-24-52)45-48-67(69)72(70)73(71(64)68,56-25-11-3-12-26-56)57-27-13-4-14-28-57;1-67(2,3)48-32-36-54(37-33-48)70(52-25-15-9-16-26-52)56-40-43-58-47(45-56)31-42-62-64-60-30-20-19-29-59(60)63-46-57(71(53-27-17-10-18-28-53)55-38-34-49(35-39-55)68(4,5)6)41-44-61(63)66(64)69(65(58)62,50-21-11-7-12-22-50)51-23-13-8-14-24-51;1-45(2)47-29-34-54(35-30-47)68(52-23-13-7-14-24-52)56-38-41-58-49(43-56)33-40-62-64-60-28-18-17-27-59(60)63-44-57(69(53-25-15-8-16-26-53)55-36-31-48(32-37-55)46(3)4)39-42-61(63)66(64)67(65(58)62,50-19-9-5-10-20-50)51-21-11-6-12-22-51;1-3-45-29-34-52(35-30-45)66(50-23-13-7-14-24-50)54-38-41-56-47(43-54)33-40-60-62-58-28-18-17-27-57(58)61-44-55(67(51-25-15-8-16-26-51)53-36-31-46(4-2)32-37-53)39-42-59(61)64(62)65(63(56)60,48-19-9-5-10-20-48)49-21-11-6-12-22-49/h3-6,11-20,25-52H,1-2,7-10,21-24H2;7-46H,1-6H3;5-46H,1-4H3;5-44H,3-4H2,1-2H3.
What are the key properties of 5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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?
5-N,20-N-bis(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 3628.86 g/mol, XLogP of 75.86, 38 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(4-tert-butylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-cyclohexylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N-bis(4-ethylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[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;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(4-propan-2-ylphenyl)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 162047549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).