N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine

C336H221N13S6 — CID 158622482

About N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine

N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine (PubChem CID 158622482) has the molecular formula C336H221N13S6 and a molecular weight of 4632.96 g/mol. Its IUPAC name is N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine
• PubChem CID: 158622482
• Molecular Formula: C336H221N13S6
• Molecular Weight: 4632.96 g/mol
• Exact Mass: 4628.60
• IUPAC Name: N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c4c6cc7c(cc6ccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)sc4ccccc47)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c4c6cc7c(cc6ccc4n5-c4ccccc4)sc4ccccc47)c3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5N(c5ccccc5)c5cccc6ccccc56)cc4c4c5cc6c(cc5ccc43)sc3ccccc36)c2)cc1.c1ccc(-n2c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)cc3c3c4cc5c(cc4ccc32)sc2ccccc25)cc1.c1ccc(N(c2cccc(-c3ccc4c(c3)c3c5cc6c(cc5ccc3n4-c3ccccc3)sc3ccccc36)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)c4c6cc7c(cc6ccc4n5-c4ccccc4)sc4ccccc47)cc3)cc2)cc1
• InChI: InChI=1S/C64H46N2S.C58H37N3S.C56H36N2S.C54H34N2S.2C52H34N2S/c1-63(2)54-22-11-8-19-46(54)48-29-27-44(36-56(48)63)65(42-16-6-5-7-17-42)43-18-14-15-39(33-43)40-25-31-58-53(34-40)62-51-38-52-50-21-10-13-24-60(50)67-61(52)35-41(51)26-32-59(62)66(58)45-28-30-49-47-20-9-12-23-55(47)64(3,4)57(49)37-45;1-4-16-41(17-5-1)59(45-29-30-47-46-23-10-12-25-52(46)61(55(47)36-45)43-20-8-3-9-21-43)44-22-14-15-38(33-44)39-27-31-53-51(34-39)58-49-37-50-48-24-11-13-26-56(48)62-57(50)35-40(49)28-32-54(58)60(53)42-18-6-2-7-19-42;1-3-15-37(16-4-1)39-19-13-22-43(33-39)58-52-31-29-40(34-49(52)56-47-36-48-46-25-10-12-28-54(46)59-55(48)35-41(47)30-32-53(56)58)45-24-9-11-26-50(45)57(42-20-5-2-6-21-42)51-27-14-18-38-17-7-8-23-44(38)51;1-2-15-41(16-3-1)56-50-29-24-39(32-48(50)54-46-34-47-45-18-8-9-20-52(45)57-53(47)33-40(46)25-30-51(54)56)36-21-26-42(27-22-36)55(43-28-23-35-11-4-5-13-38(35)31-43)49-19-10-14-37-12-6-7-17-44(37)49;1-4-13-35(14-5-1)36-23-27-42(28-24-36)53(40-16-6-2-7-17-40)43-20-12-15-37(31-43)38-25-29-48-47(32-38)52-45-34-46-44-21-10-11-22-50(44)55-51(46)33-39(45)26-30-49(52)54(48)41-18-8-3-9-19-41;1-4-12-40(13-5-1)53(41-14-6-2-7-15-41)43-28-24-36(25-29-43)35-20-22-37(23-21-35)38-26-30-48-47(32-38)52-45-34-46-44-18-10-11-19-50(44)55-51(46)33-39(45)27-31-49(52)54(48)42-16-8-3-9-17-42/h5-38H,1-4H3;1-37H;1-36H;1-34H;2*1-34H
• InChIKey: HYEGOCCUKUMZHX-UHFFFAOYSA-N
• XLogP: 96.82
• TPSA: 53.95 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 34
• Heavy Atoms: 355
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4632.96
LogP ≤ 5	96.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine?

The IUPAC name of N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine (CID 158622482) is N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c4c6cc7c(cc6ccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)sc4ccccc47)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c4c6cc7c(cc6ccc4n5-c4ccccc4)sc4ccccc47)c3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5N(c5ccccc5)c5cccc6ccccc56)cc4c4c5cc6c(cc5ccc43)sc3ccccc36)c2)cc1.c1ccc(-n2c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)cc3c3c4cc5c(cc4ccc32)sc2ccccc25)cc1.c1ccc(N(c2cccc(-c3ccc4c(c3)c3c5cc6c(cc5ccc3n4-c3ccccc3)sc3ccccc36)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(c4)c4c6cc7c(cc6ccc4n5-c4ccccc4)sc4ccccc47)cc3)cc2)cc1.

What is the InChIKey of N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine?

The InChIKey is HYEGOCCUKUMZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2S.C58H37N3S.C56H36N2S.C54H34N2S.2C52H34N2S/c1-63(2)54-22-11-8-19-46(54)48-29-27-44(36-56(48)63)65(42-16-6-5-7-17-42)43-18-14-15-39(33-43)40-25-31-58-53(34-40)62-51-38-52-50-21-10-13-24-60(50)67-61(52)35-41(51)26-32-59(62)66(58)45-28-30-49-47-20-9-12-23-55(47)64(3,4)57(49)37-45;1-4-16-41(17-5-1)59(45-29-30-47-46-23-10-12-25-52(46)61(55(47)36-45)43-20-8-3-9-21-43)44-22-14-15-38(33-44)39-27-31-53-51(34-39)58-49-37-50-48-24-11-13-26-56(48)62-57(50)35-40(49)28-32-54(58)60(53)42-18-6-2-7-19-42;1-3-15-37(16-4-1)39-19-13-22-43(33-39)58-52-31-29-40(34-49(52)56-47-36-48-46-25-10-12-28-54(46)59-55(48)35-41(47)30-32-53(56)58)45-24-9-11-26-50(45)57(42-20-5-2-6-21-42)51-27-14-18-38-17-7-8-23-44(38)51;1-2-15-41(16-3-1)56-50-29-24-39(32-48(50)54-46-34-47-45-18-8-9-20-52(45)57-53(47)33-40(46)25-30-51(54)56)36-21-26-42(27-22-36)55(43-28-23-35-11-4-5-13-38(35)31-43)49-19-10-14-37-12-6-7-17-44(37)49;1-4-13-35(14-5-1)36-23-27-42(28-24-36)53(40-16-6-2-7-17-40)43-20-12-15-37(31-43)38-25-29-48-47(32-38)52-45-34-46-44-21-10-11-22-50(44)55-51(46)33-39(45)26-30-49(52)54(48)41-18-8-3-9-19-41;1-4-12-40(13-5-1)53(41-14-6-2-7-15-41)43-28-24-36(25-29-43)35-20-22-37(23-21-35)38-26-30-48-47(32-38)52-45-34-46-44-18-10-11-19-50(44)55-51(46)33-39(45)27-31-49(52)54(48)42-16-8-3-9-17-42/h5-38H,1-4H3;1-37H;1-36H;1-34H;2*1-34H.

What are the key properties of N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine?

N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine has a molecular weight of 4632.96 g/mol, XLogP of 96.82, 34 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[9-(9,9-dimethylfluoren-2-yl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]aniline;N,9-diphenyl-N-[3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]carbazol-2-amine;N-naphthalen-1-yl-N-[4-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)phenyl]naphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-(9-phenyl-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl)aniline;N-phenyl-N-[2-[9-(3-phenylphenyl)-16-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaen-5-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 158622482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).