6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

C391H314N16S8 — CID 160925609

About 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (PubChem CID 160925609) has the molecular formula C391H314N16S8 and a molecular weight of 5493.46 g/mol. Its IUPAC name is 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.

Molecular Properties

• Compound Name: 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
• PubChem CID: 160925609
• Molecular Formula: C391H314N16S8
• Molecular Weight: 5493.46 g/mol
• Exact Mass: 5488.28
• IUPAC Name: 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
• SMILES: CC(C)c1ccc(N(c2ccccc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccccc7)c7ccc(C(C)C)cc7)ccc6c5c43)c2)cc1.Cc1ccc(N(c2cccc(C)c2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccc(C)cc7)c7cccc(C)c7)ccc6c5c43)c2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccc(C)cc7)c7ccccc7C)ccc6c5c43)c2)cc1.Cc1cccc(N(c2ccc3c(ccc4sc5ccc6cc(N(c7cccc(C)c7)c7ccccc7C)ccc6c5c43)c2)c2ccccc2C)c1.Cc1cccc(N(c2cccc(C)c2)c2ccc3c(ccc4sc5ccc6cc(N(c7cccc(C)c7)c7cccc(C)c7)ccc6c5c43)c2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccccc7)c7cccc(C)c7)ccc6c5c43)c2)c1.Cc1ccccc1N(c1ccc2c(ccc3sc4ccc5cc(N(c6ccccc6C)c6ccccc6C)ccc5c4c32)c1)c1ccccc1C.c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccccc7)c7ccc(C8CCCCC8)cc7)ccc6c5c43)c2)cc1
• InChI: InChI=1S/C56H50N2S.C50H42N2S.4C48H38N2S.C47H36N2S.C46H34N2S/c1-5-13-39(14-6-1)41-21-27-47(28-22-41)57(45-17-9-3-10-18-45)49-31-33-51-43(37-49)25-35-53-55(51)56-52-34-32-50(38-44(52)26-36-54(56)59-53)58(46-19-11-4-12-20-46)48-29-23-42(24-30-48)40-15-7-2-8-16-40;1-33(2)35-15-21-41(22-16-35)51(39-11-7-5-8-12-39)43-25-27-45-37(31-43)19-29-47-49(45)50-46-28-26-44(32-38(46)20-30-48(50)53-47)52(40-13-9-6-10-14-40)42-23-17-36(18-24-42)34(3)4;1-31-9-5-13-37(25-31)49(38-14-6-10-32(2)26-38)41-19-21-43-35(29-41)17-23-45-47(43)48-44-22-20-42(30-36(44)18-24-46(48)51-45)50(39-15-7-11-33(3)27-39)40-16-8-12-34(4)28-40;1-31-13-5-9-17-41(31)49(42-18-10-6-14-32(42)2)37-23-25-39-35(29-37)21-27-45-47(39)48-40-26-24-38(30-36(40)22-28-46(48)51-45)50(43-19-11-7-15-33(43)3)44-20-12-8-16-34(44)4;1-31-11-9-15-37(27-31)49(43-17-7-5-13-33(43)3)39-21-23-41-35(29-39)19-25-45-47(41)48-42-24-22-40(30-36(42)20-26-46(48)51-45)50(38-16-10-12-32(2)28-38)44-18-8-6-14-34(44)4;1-31-11-17-37(18-12-31)49(39-9-5-7-33(3)27-39)41-21-23-43-35(29-41)15-25-45-47(43)48-44-24-22-42(30-36(44)16-26-46(48)51-45)50(38-19-13-32(2)14-20-38)40-10-6-8-34(4)28-40;1-31-13-19-37(20-14-31)48(36-10-5-4-6-11-36)39-23-25-41-34(29-39)17-27-44-46(41)47-42-26-24-40(30-35(42)18-28-45(47)50-44)49(38-21-15-32(2)16-22-38)43-12-8-7-9-33(43)3;1-31-11-9-17-37(27-31)47(35-13-5-3-6-14-35)39-21-23-41-33(29-39)19-25-43-45(41)46-42-24-22-40(30-34(42)20-26-44(46)49-43)48(36-15-7-4-8-16-36)38-18-10-12-32(2)28-38/h3-4,9-12,17-40H,1-2,5-8,13-16H2;5-34H,1-4H3;4*5-30H,1-4H3;4-30H,1-3H3;3-30H,1-2H3
• InChIKey: SSPFPFZUKSTUDM-UHFFFAOYSA-N
• XLogP: 119.22
• TPSA: 51.84 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 52
• Heavy Atoms: 415
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5493.46
LogP ≤ 5	119.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

The IUPAC name of 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (CID 160925609) is 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.

What is the SMILES notation for 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

The canonical SMILES for 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is CC(C)c1ccc(N(c2ccccc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccccc7)c7ccc(C(C)C)cc7)ccc6c5c43)c2)cc1.Cc1ccc(N(c2cccc(C)c2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccc(C)cc7)c7cccc(C)c7)ccc6c5c43)c2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccc(C)cc7)c7ccccc7C)ccc6c5c43)c2)cc1.Cc1cccc(N(c2ccc3c(ccc4sc5ccc6cc(N(c7cccc(C)c7)c7ccccc7C)ccc6c5c43)c2)c2ccccc2C)c1.Cc1cccc(N(c2cccc(C)c2)c2ccc3c(ccc4sc5ccc6cc(N(c7cccc(C)c7)c7cccc(C)c7)ccc6c5c43)c2)c1.Cc1cccc(N(c2ccccc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccccc7)c7cccc(C)c7)ccc6c5c43)c2)c1.Cc1ccccc1N(c1ccc2c(ccc3sc4ccc5cc(N(c6ccccc6C)c6ccccc6C)ccc5c4c32)c1)c1ccccc1C.c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(ccc4sc5ccc6cc(N(c7ccccc7)c7ccc(C8CCCCC8)cc7)ccc6c5c43)c2)cc1.

What is the InChIKey of 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

The InChIKey is SSPFPFZUKSTUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2S.C50H42N2S.4C48H38N2S.C47H36N2S.C46H34N2S/c1-5-13-39(14-6-1)41-21-27-47(28-22-41)57(45-17-9-3-10-18-45)49-31-33-51-43(37-49)25-35-53-55(51)56-52-34-32-50(38-44(52)26-36-54(56)59-53)58(46-19-11-4-12-20-46)48-29-23-42(24-30-48)40-15-7-2-8-16-40;1-33(2)35-15-21-41(22-16-35)51(39-11-7-5-8-12-39)43-25-27-45-37(31-43)19-29-47-49(45)50-46-28-26-44(32-38(46)20-30-48(50)53-47)52(40-13-9-6-10-14-40)42-23-17-36(18-24-42)34(3)4;1-31-9-5-13-37(25-31)49(38-14-6-10-32(2)26-38)41-19-21-43-35(29-41)17-23-45-47(43)48-44-22-20-42(30-36(44)18-24-46(48)51-45)50(39-15-7-11-33(3)27-39)40-16-8-12-34(4)28-40;1-31-13-5-9-17-41(31)49(42-18-10-6-14-32(42)2)37-23-25-39-35(29-37)21-27-45-47(39)48-40-26-24-38(30-36(40)22-28-46(48)51-45)50(43-19-11-7-15-33(43)3)44-20-12-8-16-34(44)4;1-31-11-9-15-37(27-31)49(43-17-7-5-13-33(43)3)39-21-23-41-35(29-39)19-25-45-47(41)48-42-24-22-40(30-36(42)20-26-46(48)51-45)50(38-16-10-12-32(2)28-38)44-18-8-6-14-34(44)4;1-31-11-17-37(18-12-31)49(39-9-5-7-33(3)27-39)41-21-23-43-35(29-41)15-25-45-47(43)48-44-24-22-42(30-36(44)16-26-46(48)51-45)50(38-19-13-32(2)14-20-38)40-10-6-8-34(4)28-40;1-31-13-19-37(20-14-31)48(36-10-5-4-6-11-36)39-23-25-41-34(29-39)17-27-44-46(41)47-42-26-24-40(30-35(42)18-28-45(47)50-44)49(38-21-15-32(2)16-22-38)43-12-8-7-9-33(43)3;1-31-11-9-17-37(27-31)47(35-13-5-3-6-14-35)39-21-23-41-33(29-39)19-25-43-45(41)46-42-24-22-40(30-34(42)20-26-44(46)49-43)48(36-15-7-4-8-16-36)38-18-10-12-32(2)28-38/h3-4,9-12,17-40H,1-2,5-8,13-16H2;5-34H,1-4H3;4*5-30H,1-4H3;4-30H,1-3H3;3-30H,1-2H3.

What are the key properties of 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine has a molecular weight of 5493.46 g/mol, XLogP of 119.22, 52 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is sourced from PubChem (CID 160925609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).