9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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

C320H234N14S6 — CID 161069741

About 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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 161069741) has the molecular formula C320H234N14S6 and a molecular weight of 4467.89 g/mol. Its IUPAC name is 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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: 161069741
• Molecular Formula: C320H234N14S6
• Molecular Weight: 4467.89 g/mol
• Exact Mass: 4463.71
• IUPAC Name: 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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: CC(C)c1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(C(C)C)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(c2ccc(C3CCCCC3)cc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c5ccccc5c43)c3ccccc23)cc1
• InChI: InChI=1S/2C56H38N2S.C56H50N2S.C56H38N2S.C50H42N2S.C46H28N4S/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;2*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;1-33(2)35-23-27-39(28-24-35)51(37-15-7-5-8-16-37)46-31-45-49-43-21-13-11-19-41(43)47(32-48(49)53-50(45)44-22-14-12-20-42(44)46)52(38-17-9-6-10-18-38)40-29-25-36(26-30-40)34(3)4;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/h2*1-38H;3-4,9-16,21-40H,1-2,5-8,17-20H2;1-38H;5-34H,1-4H3;1-28H
• InChIKey: UEMPTVALSQVRQU-UHFFFAOYSA-N
• XLogP: 95.89
• TPSA: 86.46 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 46
• Heavy Atoms: 340
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4467.89
LogP ≤ 5	95.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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 161069741) is 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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 CC(C)c1ccc(N(c2ccccc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(C(C)C)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(c2ccc(C3CCCCC3)cc2)c2cc3c(sc4cc(N(c5ccccc5)c5ccc(C6CCCCC6)cc5)c5ccccc5c43)c3ccccc23)cc1.

What is the InChIKey of 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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 UEMPTVALSQVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H38N2S.C56H50N2S.C56H38N2S.C50H42N2S.C46H28N4S/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;2*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;1-33(2)35-23-27-39(28-24-35)51(37-15-7-5-8-16-37)46-31-45-49-43-21-13-11-19-41(43)47(32-48(49)53-50(45)44-22-14-12-20-42(44)46)52(38-17-9-6-10-18-38)40-29-25-36(26-30-40)34(3)4;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/h2*1-38H;3-4,9-16,21-40H,1-2,5-8,17-20H2;1-38H;5-34H,1-4H3;1-28H.

What are the key properties of 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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 4467.89 g/mol, XLogP of 95.89, 46 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,20-N-bis(4-cyclohexylphenyl)-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-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-propan-2-ylphenyl)-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 161069741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).