5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

C439H334F2N12O2Si — CID 157214082

About 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (PubChem CID 157214082) has the molecular formula C439H334F2N12O2Si and a molecular weight of 5875.67 g/mol. Its IUPAC name is 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.

Molecular Properties

• Compound Name: 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
• PubChem CID: 157214082
• Molecular Formula: C439H334F2N12O2Si
• Molecular Weight: 5875.67 g/mol
• Exact Mass: 5870.61
• IUPAC Name: 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5oc6ccccc6c45)ccc23)c2cccc3oc4ccccc4c23)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)ccc23)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.Cc1cc(C)cc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4cc(C)cc(C)c4)c4cccc(-c5ccccc5)c4)ccc23)c1.Cc1ccc(N(c2cc(F)cc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C)cc4)c4cc(F)cc(-c5cccc6ccccc56)c4)ccc23)cc1.Cc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C)cc4)c4cccc(-c5ccccc5)c4)ccc23)cc1
• InChI: InChI=1S/C79H54F2N2.C77H60N2O2.C75H56N2.C73H56N2.C71H52N2.C64H56N2Si/c1-51-31-35-61(36-32-51)82(65-45-55(43-59(80)47-65)69-29-15-19-53-17-9-11-25-67(53)69)63-39-41-73-75(49-63)71-27-13-14-28-72(71)77-74-42-40-64(50-76(74)79(78(73)77,57-21-5-3-6-22-57)58-23-7-4-8-24-58)83(62-37-33-52(2)34-38-62)66-46-56(44-60(81)48-66)70-30-16-20-54-18-10-12-26-68(54)70;1-75(2,3)49-35-39-53(40-36-49)78(65-29-19-33-69-72(65)61-27-15-17-31-67(61)80-69)55-43-45-59-63(47-55)57-25-13-14-26-58(57)71-60-46-44-56(48-64(60)77(74(59)71,51-21-9-7-10-22-51)52-23-11-8-12-24-52)79(54-41-37-50(38-42-54)76(4,5)6)66-30-20-34-70-73(66)62-28-16-18-32-68(62)81-70;1-73(2)66-35-21-19-32-58(66)60-41-37-54(46-68(60)73)76(51-27-13-7-14-28-51)53-39-43-63-65(45-53)57-31-17-18-34-62(57)71-64-44-40-56(48-70(64)75(72(63)71,49-23-9-5-10-24-49)50-25-11-6-12-26-50)77(52-29-15-8-16-30-52)55-38-42-61-59-33-20-22-36-67(59)74(3,4)69(61)47-55;1-49-39-50(2)42-63(41-49)74(59-31-19-25-55(45-59)53-21-9-5-10-22-53)61-35-37-67-69(47-61)65-33-17-18-34-66(65)71-68-38-36-62(48-70(68)73(72(67)71,57-27-13-7-14-28-57)58-29-15-8-16-30-58)75(64-43-51(3)40-52(4)44-64)60-32-20-26-56(46-60)54-23-11-6-12-24-54;1-49-33-37-57(38-34-49)72(59-29-17-23-53(45-59)51-19-7-3-8-20-51)61-41-43-65-67(47-61)63-31-15-16-32-64(63)69-66-44-42-62(48-68(66)71(70(65)69,55-25-11-5-12-26-55)56-27-13-6-14-28-56)73(58-39-35-50(2)36-40-58)60-30-18-24-54(46-60)52-21-9-4-10-22-52;1-63(2,3)45-31-33-50(34-32-45)66(49-27-17-10-18-28-49)53-38-42-58-60(44-53)64(46-21-11-7-12-22-46,47-23-13-8-14-24-47)62-57-41-37-52(43-59(57)55-29-19-20-30-56(55)61(58)62)65(48-25-15-9-16-26-48)51-35-39-54(40-36-51)67(4,5)6/h3-50H,1-2H3;7-48H,1-6H3;5-48H,1-4H3;5-48H,1-4H3;3-48H,1-2H3;7-44H,1-6H3
• InChIKey: ASFGBLCAHGTOFC-UHFFFAOYSA-N
• XLogP: 119.68
• TPSA: 65.16 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 55
• Heavy Atoms: 456
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5875.67
LogP ≤ 5	119.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The IUPAC name of 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (CID 157214082) is 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.

What is the SMILES notation for 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The canonical SMILES for 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5oc6ccccc6c45)ccc23)c2cccc3oc4ccccc4c23)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)ccc23)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.Cc1cc(C)cc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4cc(C)cc(C)c4)c4cccc(-c5ccccc5)c4)ccc23)c1.Cc1ccc(N(c2cc(F)cc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C)cc4)c4cc(F)cc(-c5cccc6ccccc56)c4)ccc23)cc1.Cc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C)cc4)c4cccc(-c5ccccc5)c4)ccc23)cc1.

What is the InChIKey of 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The InChIKey is ASFGBLCAHGTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54F2N2.C77H60N2O2.C75H56N2.C73H56N2.C71H52N2.C64H56N2Si/c1-51-31-35-61(36-32-51)82(65-45-55(43-59(80)47-65)69-29-15-19-53-17-9-11-25-67(53)69)63-39-41-73-75(49-63)71-27-13-14-28-72(71)77-74-42-40-64(50-76(74)79(78(73)77,57-21-5-3-6-22-57)58-23-7-4-8-24-58)83(62-37-33-52(2)34-38-62)66-46-56(44-60(81)48-66)70-30-16-20-54-18-10-12-26-68(54)70;1-75(2,3)49-35-39-53(40-36-49)78(65-29-19-33-69-72(65)61-27-15-17-31-67(61)80-69)55-43-45-59-63(47-55)57-25-13-14-26-58(57)71-60-46-44-56(48-64(60)77(74(59)71,51-21-9-7-10-22-51)52-23-11-8-12-24-52)79(54-41-37-50(38-42-54)76(4,5)6)66-30-20-34-70-73(66)62-28-16-18-32-68(62)81-70;1-73(2)66-35-21-19-32-58(66)60-41-37-54(46-68(60)73)76(51-27-13-7-14-28-51)53-39-43-63-65(45-53)57-31-17-18-34-62(57)71-64-44-40-56(48-70(64)75(72(63)71,49-23-9-5-10-24-49)50-25-11-6-12-26-50)77(52-29-15-8-16-30-52)55-38-42-61-59-33-20-22-36-67(59)74(3,4)69(61)47-55;1-49-39-50(2)42-63(41-49)74(59-31-19-25-55(45-59)53-21-9-5-10-22-53)61-35-37-67-69(47-61)65-33-17-18-34-66(65)71-68-38-36-62(48-70(68)73(72(67)71,57-27-13-7-14-28-57)58-29-15-8-16-30-58)75(64-43-51(3)40-52(4)44-64)60-32-20-26-56(46-60)54-23-11-6-12-24-54;1-49-33-37-57(38-34-49)72(59-29-17-23-53(45-59)51-19-7-3-8-20-51)61-41-43-65-67(47-61)63-31-15-16-32-64(63)69-66-44-42-62(48-68(66)71(70(65)69,55-25-11-5-12-26-55)56-27-13-6-14-28-56)73(58-39-35-50(2)36-40-58)60-30-18-24-54(46-60)52-21-9-4-10-22-52;1-63(2,3)45-31-33-50(34-32-45)66(49-27-17-10-18-28-49)53-38-42-58-60(44-53)64(46-21-11-7-12-22-46,47-23-13-8-14-24-47)62-57-41-37-52(43-59(57)55-29-19-20-30-56(55)61(58)62)65(48-25-15-9-16-26-48)51-35-39-54(40-36-51)67(4,5)6/h3-50H,1-2H3;7-48H,1-6H3;5-48H,1-4H3;5-48H,1-4H3;3-48H,1-2H3;7-44H,1-6H3.

What are the key properties of 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine has a molecular weight of 5875.67 g/mol, XLogP of 119.68, 55 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-di(dibenzofuran-1-yl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3,5-dimethylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(3-fluoro-5-naphthalen-1-ylphenyl)-5-N,18-N-bis(4-methylphenyl)-21,21-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-bis(4-methylphenyl)-21,21-diphenyl-5-N,18-N-bis(3-phenylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-(4-tert-butylphenyl)-5-N,18-N,21,21-tetraphenyl-5-N-(4-trimethylsilylphenyl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is sourced from PubChem (CID 157214082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).