9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine

C360H250F2N16S7Si2 — CID 162235423

About 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine

9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine (PubChem CID 162235423) has the molecular formula C360H250F2N16S7Si2 and a molecular weight of 5118.71 g/mol. Its IUPAC name is 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine.

Molecular Properties

• Compound Name: 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
• PubChem CID: 162235423
• Molecular Formula: C360H250F2N16S7Si2
• Molecular Weight: 5118.71 g/mol
• Exact Mass: 5113.76
• IUPAC Name: 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)c5ccccc5c43)c3ccccc23)cc1.Fc1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(F)cc5)c5ccccc5c43)c3ccccc23)cc1.N#Cc1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(C#N)cc5)c5ccccc5c43)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(sc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c6ccccc6c54)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(sc5cc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c6ccccc6c54)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)c5ccccc5c43)c3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc6ccccc6c5)c5ccccc5c43)c3ccccc23)cc1
• InChI: InChI=1S/3C56H38N2S.C52H34N2S.C50H46N2SSi2.C46H28N4S.C44H28F2N2S/c1-5-21-39(22-6-1)43-29-17-19-35-50(43)57(41-25-9-3-10-26-41)52-37-49-55-47-33-15-13-31-45(47)53(38-54(55)59-56(49)48-34-16-14-32-46(48)52)58(42-27-11-4-12-28-42)51-36-20-18-30-44(51)40-23-7-2-8-24-40;1-5-19-39(20-6-1)41-23-17-29-45(35-41)57(43-25-9-3-10-26-43)52-37-51-55-49-33-15-13-31-47(49)53(38-54(55)59-56(51)50-34-16-14-32-48(50)52)58(44-27-11-4-12-28-44)46-30-18-24-42(36-46)40-21-7-2-8-22-40;1-5-17-39(18-6-1)41-29-33-45(34-30-41)57(43-21-9-3-10-22-43)52-37-51-55-49-27-15-13-25-47(49)53(38-54(55)59-56(51)50-28-16-14-26-48(50)52)58(44-23-11-4-12-24-44)46-35-31-42(32-36-46)40-19-7-2-8-20-40;1-3-19-39(20-4-1)53(41-29-27-35-15-7-9-17-37(35)31-41)48-33-47-51-45-25-13-11-23-43(45)49(34-50(51)55-52(47)46-26-14-12-24-44(46)48)54(40-21-5-2-6-22-40)42-30-28-36-16-8-10-18-38(36)32-42;1-54(2,3)39-29-25-37(26-30-39)51(35-17-9-7-10-18-35)46-33-45-49-43-23-15-13-21-41(43)47(34-48(49)53-50(45)44-24-16-14-22-42(44)46)52(36-19-11-8-12-20-36)38-27-31-40(32-28-38)55(4,5)6;47-29-31-19-23-35(24-20-31)49(33-11-3-1-4-12-33)42-27-41-45-39-17-9-7-15-37(39)43(28-44(45)51-46(41)40-18-10-8-16-38(40)42)50(34-13-5-2-6-14-34)36-25-21-32(30-48)22-26-36;45-29-19-23-33(24-20-29)47(31-11-3-1-4-12-31)40-27-39-43-37-17-9-7-15-35(37)41(28-42(43)49-44(39)38-18-10-8-16-36(38)40)48(32-13-5-2-6-14-32)34-25-21-30(46)22-26-34/h3*1-38H;1-34H;7-34H,1-6H3;1-28H;1-28H
• InChIKey: ZVZMCIFTXZRSOJ-UHFFFAOYSA-N
• XLogP: 106.52
• TPSA: 92.94 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 50
• Heavy Atoms: 387
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5118.71
LogP ≤ 5	106.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine?

The IUPAC name of 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine (CID 162235423) is 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine.

What is the SMILES notation for 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine?

The canonical SMILES for 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)c5ccccc5c43)c3ccccc23)cc1.Fc1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(F)cc5)c5ccccc5c43)c3ccccc23)cc1.N#Cc1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(C#N)cc5)c5ccccc5c43)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(sc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c6ccccc6c54)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(sc5cc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c6ccccc6c54)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)c5ccccc5c43)c3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc6ccccc6c5)c5ccccc5c43)c3ccccc23)cc1.

What is the InChIKey of 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine?

The InChIKey is ZVZMCIFTXZRSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H38N2S.C52H34N2S.C50H46N2SSi2.C46H28N4S.C44H28F2N2S/c1-5-21-39(22-6-1)43-29-17-19-35-50(43)57(41-25-9-3-10-26-41)52-37-49-55-47-33-15-13-31-45(47)53(38-54(55)59-56(49)48-34-16-14-32-46(48)52)58(42-27-11-4-12-28-42)51-36-20-18-30-44(51)40-23-7-2-8-24-40;1-5-19-39(20-6-1)41-23-17-29-45(35-41)57(43-25-9-3-10-26-43)52-37-51-55-49-33-15-13-31-47(49)53(38-54(55)59-56(51)50-34-16-14-32-48(50)52)58(44-27-11-4-12-28-44)46-30-18-24-42(36-46)40-21-7-2-8-22-40;1-5-17-39(18-6-1)41-29-33-45(34-30-41)57(43-21-9-3-10-22-43)52-37-51-55-49-27-15-13-25-47(49)53(38-54(55)59-56(51)50-28-16-14-26-48(50)52)58(44-23-11-4-12-24-44)46-35-31-42(32-36-46)40-19-7-2-8-20-40;1-3-19-39(20-4-1)53(41-29-27-35-15-7-9-17-37(35)31-41)48-33-47-51-45-25-13-11-23-43(45)49(34-50(51)55-52(47)46-26-14-12-24-44(46)48)54(40-21-5-2-6-22-40)42-30-28-36-16-8-10-18-38(36)32-42;1-54(2,3)39-29-25-37(26-30-39)51(35-17-9-7-10-18-35)46-33-45-49-43-23-15-13-21-41(43)47(34-48(49)53-50(45)44-24-16-14-22-42(44)46)52(36-19-11-8-12-20-36)38-27-31-40(32-28-38)55(4,5)6;47-29-31-19-23-35(24-20-31)49(33-11-3-1-4-12-33)42-27-41-45-39-17-9-7-15-37(39)43(28-44(45)51-46(41)40-18-10-8-16-38(40)42)50(34-13-5-2-6-14-34)36-25-21-32(30-48)22-26-36;45-29-19-23-33(24-20-29)47(31-11-3-1-4-12-31)40-27-39-43-37-17-9-7-15-35(37)41(28-42(43)49-44(39)38-18-10-8-16-36(38)40)48(32-13-5-2-6-14-32)34-25-21-30(46)22-26-34/h3*1-38H;1-34H;7-34H,1-6H3;1-28H;1-28H.

What are the key properties of 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine?

9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine has a molecular weight of 5118.71 g/mol, XLogP of 106.52, 50 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,20-N-bis(4-fluorophenyl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-(N-[9-(N-(4-cyanophenyl)anilino)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-yl]anilino)benzonitrile;9-N,20-N-dinaphthalen-2-yl-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(2-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine is sourced from PubChem (CID 162235423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).