5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile

C462H360F2N18Si2 — CID 161346222

About 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile

5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile (PubChem CID 161346222) has the molecular formula C462H360F2N18Si2 and a molecular weight of 6258.26 g/mol. Its IUPAC name is 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile.

Molecular Properties

• Compound Name: 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile
• PubChem CID: 161346222
• Molecular Formula: C462H360F2N18Si2
• Molecular Weight: 6258.26 g/mol
• Exact Mass: 6252.82
• IUPAC Name: 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile
• SMILES: CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c2-3)cc1.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc1c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1c1ccc(N(c3ccccc3)c3cccc4ccccc34)cc1c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccccc3)cc1c1ccccc21.C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c2-3)cc1.Cc1cccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2ccc(F)cc2)(c2ccc(F)cc2)c2c-3c3ccccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4cccc(C)c4)ccc23)c1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc(N(c3ccccc3)c3ccc(C#N)cc3)cc2C4(C)C)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c3-4)cc2)cc1
• InChI: InChI=1S/C67H58F2N2.C65H44N2.C61H52N2.C59H52N2Si2.C59H44N2.C55H40N2.C49H34N4.C47H36N2/c1-43-13-11-15-53(39-43)70(51-31-23-45(24-32-51)65(3,4)5)55-35-37-59-61(41-55)57-17-9-10-18-58(57)63-60-38-36-56(71(54-16-12-14-44(2)40-54)52-33-25-46(26-34-52)66(6,7)8)42-62(60)67(64(59)63,47-19-27-49(68)28-20-47)48-21-29-50(69)30-22-48;1-5-19-45(20-6-1)47-33-37-51(38-34-47)66(49-23-9-3-10-24-49)53-41-42-58-61(43-53)65(59-31-17-15-27-54(59)55-28-16-18-32-60(55)65)62-44-63(56-29-13-14-30-57(56)64(58)62)67(50-25-11-4-12-26-50)52-39-35-48(36-40-52)46-21-7-2-8-22-46;1-59(2,3)41-29-33-45(34-30-41)62(43-19-9-7-10-20-43)47-37-38-52-55(39-47)61(53-27-17-15-23-48(53)49-24-16-18-28-54(49)61)56-40-57(50-25-13-14-26-51(50)58(52)56)63(44-21-11-8-12-22-44)46-35-31-42(32-36-46)60(4,5)6;1-62(2,3)46-34-29-43(30-35-46)60(41-19-9-7-10-20-41)45-33-38-52-55(39-45)59(53-27-17-15-23-48(53)49-24-16-18-28-54(49)59)56-40-57(50-25-13-14-26-51(50)58(52)56)61(42-21-11-8-12-22-42)44-31-36-47(37-32-44)63(4,5)6;1-59(2)56-40-50(61(46-23-13-6-14-24-46)48-33-29-44(30-34-48)42-19-9-4-10-20-42)36-38-54(56)57-52-26-16-15-25-51(52)55-39-49(35-37-53(55)58(57)59)60(45-21-11-5-12-22-45)47-31-27-43(28-32-47)41-17-7-3-8-18-41;1-55(2)50-36-42(57(40-23-7-4-8-24-40)52-30-16-20-38-18-10-12-26-44(38)52)32-34-48(50)53-46-28-14-13-27-45(46)49-35-41(31-33-47(49)54(53)55)56(39-21-5-3-6-22-39)51-29-15-19-37-17-9-11-25-43(37)51;1-49(2)46-31-40(53(36-14-8-5-9-15-36)37-22-18-33(32-50)19-23-37)27-29-44(46)47-42-17-11-10-16-41(42)45-30-39(26-28-43(45)48(47)49)52(35-12-6-4-7-13-35)38-24-20-34(51-3)21-25-38;1-47(2)44-32-38(49(35-21-11-5-12-22-35)36-23-13-6-14-24-36)28-30-42(44)45-40-26-16-15-25-39(40)43-31-37(27-29-41(43)46(45)47)48(33-17-7-3-8-18-33)34-19-9-4-10-20-34/h9-42H,1-8H3;1-44H;2*7-40H,1-6H3;3-40H,1-2H3;3-36H,1-2H3;4-31H,1-2H3;3-32H,1-2H3
• InChIKey: VNICQLWMHOKCND-UHFFFAOYSA-N
• XLogP: 127.19
• TPSA: 79.99 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 56
• Heavy Atoms: 484
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6258.26
LogP ≤ 5	127.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile?

The IUPAC name of 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile (CID 161346222) is 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile.

What is the SMILES notation for 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile?

The canonical SMILES for 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c2-3)cc1.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc1c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2c1c1ccc(N(c3ccccc3)c3cccc4ccccc34)cc1c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccccc3)cc1c1ccccc21.C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c2-3)cc1.Cc1cccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2ccc(F)cc2)(c2ccc(F)cc2)c2c-3c3ccccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4cccc(C)c4)ccc23)c1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc(N(c3ccccc3)c3ccc(C#N)cc3)cc2C4(C)C)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c3-4)cc2)cc1.

What is the InChIKey of 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile?

The InChIKey is VNICQLWMHOKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H58F2N2.C65H44N2.C61H52N2.C59H52N2Si2.C59H44N2.C55H40N2.C49H34N4.C47H36N2/c1-43-13-11-15-53(39-43)70(51-31-23-45(24-32-51)65(3,4)5)55-35-37-59-61(41-55)57-17-9-10-18-58(57)63-60-38-36-56(71(54-16-12-14-44(2)40-54)52-33-25-46(26-34-52)66(6,7)8)42-62(60)67(64(59)63,47-19-27-49(68)28-20-47)48-21-29-50(69)30-22-48;1-5-19-45(20-6-1)47-33-37-51(38-34-47)66(49-23-9-3-10-24-49)53-41-42-58-61(43-53)65(59-31-17-15-27-54(59)55-28-16-18-32-60(55)65)62-44-63(56-29-13-14-30-57(56)64(58)62)67(50-25-11-4-12-26-50)52-39-35-48(36-40-52)46-21-7-2-8-22-46;1-59(2,3)41-29-33-45(34-30-41)62(43-19-9-7-10-20-43)47-37-38-52-55(39-47)61(53-27-17-15-23-48(53)49-24-16-18-28-54(49)61)56-40-57(50-25-13-14-26-51(50)58(52)56)63(44-21-11-8-12-22-44)46-35-31-42(32-36-46)60(4,5)6;1-62(2,3)46-34-29-43(30-35-46)60(41-19-9-7-10-20-41)45-33-38-52-55(39-45)59(53-27-17-15-23-48(53)49-24-16-18-28-54(49)59)56-40-57(50-25-13-14-26-51(50)58(52)56)61(42-21-11-8-12-22-42)44-31-36-47(37-32-44)63(4,5)6;1-59(2)56-40-50(61(46-23-13-6-14-24-46)48-33-29-44(30-34-48)42-19-9-4-10-20-42)36-38-54(56)57-52-26-16-15-25-51(52)55-39-49(35-37-53(55)58(57)59)60(45-21-11-5-12-22-45)47-31-27-43(28-32-47)41-17-7-3-8-18-41;1-55(2)50-36-42(57(40-23-7-4-8-24-40)52-30-16-20-38-18-10-12-26-44(38)52)32-34-48(50)53-46-28-14-13-27-45(46)49-35-41(31-33-47(49)54(53)55)56(39-21-5-3-6-22-39)51-29-15-19-37-17-9-11-25-43(37)51;1-49(2)46-31-40(53(36-14-8-5-9-15-36)37-22-18-33(32-50)19-23-37)27-29-44(46)47-42-17-11-10-16-41(42)45-30-39(26-28-43(45)48(47)49)52(35-12-6-4-7-13-35)38-24-20-34(51-3)21-25-38;1-47(2)44-32-38(49(35-21-11-5-12-22-35)36-23-13-6-14-24-36)28-30-42(44)45-40-26-16-15-25-39(40)43-31-37(27-29-41(43)46(45)47)48(33-17-7-3-8-18-33)34-19-9-4-10-20-34/h9-42H,1-8H3;1-44H;2*7-40H,1-6H3;3-40H,1-2H3;3-36H,1-2H3;4-31H,1-2H3;3-32H,1-2H3.

What are the key properties of 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile?

5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile has a molecular weight of 6258.26 g/mol, XLogP of 127.19, 56 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,18-N-bis(4-tert-butylphenyl)-21,21-bis(4-fluorophenyl)-5-N,18-N-bis(3-methylphenyl)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,9-N-bis(4-tert-butylphenyl)-5-N,9-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;21,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-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;21,21-dimethyl-5-N,18-N-diphenyl-5-N,18-N-bis(4-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;21,21-dimethyl-5-N,5-N,18-N,18-N-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,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;5-N,9-N-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine;4-(N-[5-(N-(4-isocyanophenyl)anilino)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]anilino)benzonitrile is sourced from PubChem (CID 161346222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).