19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene

C473H288OS10 — CID 160937636

About 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene

19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene (PubChem CID 160937636) has the molecular formula C473H288OS10 and a molecular weight of 6308.18 g/mol. Its IUPAC name is 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene.

Molecular Properties

• Compound Name: 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
• PubChem CID: 160937636
• Molecular Formula: C473H288OS10
• Molecular Weight: 6308.18 g/mol
• Exact Mass: 6301.97
• IUPAC Name: 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
• SMILES: c1cc(-c2ccc3ccc4c5ccccc5ccc4c3c2)cc(-c2ccc3ccc4ccc5c6ccccc6sc5c4c3c2)c1.c1cc(-c2cccc(-c3ccc4ccc5ccc6c7ccccc7sc6c5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3ccc4ccc5ccc6c7ccccc7sc6c5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3ccc4ccc5ccc6c7ccccc7sc6c5c4c3)c2)cc(-c2ccc3ccc4ccccc4c3c2)c1.c1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3ccc4ccc5c6ccccc6sc5c4c3c2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ccc3ccc4ccc5c6ccccc6sc5c4c3c2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5ccc6ccc7c(c6c5c4)Cc4ccccc4-7)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccc6ccc7ccc8c9ccccc9sc8c7c6c5)c4)c3)c2)cc1.c1ccc2c(c1)ccc1c3cc(-c4ccc(-c5ccc(-c6ccc7ccc8ccc9c%10ccccc%10sc9c8c7c6)cc5)cc4)ccc3ccc21.c1ccc2c(c1)sc1c2ccc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)cc3c21
• InChI: InChI=1S/4C50H30S.C50H32S.C46H28S.C45H30.C44H26OS.C44H26S2.C44H26S/c2*1-2-15-41-39(13-1)40-14-3-4-16-42(40)47-30-38(24-25-43(41)47)36-12-8-10-34(28-36)33-9-7-11-35(27-33)37-22-20-31-19-21-32-23-26-45-44-17-5-6-18-48(44)51-50(45)49(32)46(31)29-37;1-2-9-41-39(7-1)40-8-3-4-10-42(40)47-30-38(26-27-43(41)47)34-19-15-32(16-20-34)31-13-17-33(18-14-31)37-24-22-35-21-23-36-25-28-45-44-11-5-6-12-48(44)51-50(45)49(36)46(35)29-37;1-2-6-41-35(5-1)23-27-43-42(41)26-24-36-18-21-39(29-46(36)43)33-13-9-31(10-14-33)32-11-15-34(16-12-32)40-22-19-37-17-20-38-25-28-45-44-7-3-4-8-48(44)51-50(45)49(38)47(37)30-40;1-3-11-33(12-4-1)42-29-43(34-13-5-2-6-14-34)31-44(30-42)40-18-10-16-38(28-40)37-15-9-17-39(27-37)41-24-22-35-21-23-36-25-26-46-45-19-7-8-20-48(45)51-50(46)49(36)47(35)32-41;1-2-12-39-29(7-1)15-16-30-18-21-37(27-42(30)39)35-10-5-8-33(25-35)34-9-6-11-36(26-34)38-22-19-31-17-20-32-23-24-41-40-13-3-4-14-44(40)47-46(41)45(32)43(31)28-38;1-3-10-30(11-4-1)38-25-39(31-12-5-2-6-13-31)27-40(26-38)35-16-9-15-34(24-35)36-21-19-32-18-20-33-22-23-42-41-17-8-7-14-37(41)29-44(42)45(33)43(32)28-36;2*1-3-16-40-35(12-1)37-15-7-14-34(43(37)45-40)33-11-6-10-31(25-33)29-8-5-9-30(24-29)32-21-19-27-18-20-28-22-23-38-36-13-2-4-17-41(36)46-44(38)42(28)39(27)26-32;1-2-9-35-27(6-1)18-22-37-36(35)21-19-28-13-16-33(25-40(28)37)31-7-5-8-32(24-31)34-17-14-29-12-15-30-20-23-39-38-10-3-4-11-42(38)45-44(39)43(30)41(29)26-34/h4*1-30H;1-32H;1-28H;1-28H,29H2;2*1-26H;1-26H
• InChIKey: SUBUWBFUQACRFD-UHFFFAOYSA-N
• XLogP: 140.03
• TPSA: 13.14 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 484
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6308.18
LogP ≤ 5	140.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

The IUPAC name of 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene (CID 160937636) is 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene.

What is the SMILES notation for 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

The canonical SMILES for 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene is c1cc(-c2ccc3ccc4c5ccccc5ccc4c3c2)cc(-c2ccc3ccc4ccc5c6ccccc6sc5c4c3c2)c1.c1cc(-c2cccc(-c3ccc4ccc5ccc6c7ccccc7sc6c5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3ccc4ccc5ccc6c7ccccc7sc6c5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2cccc(-c3ccc4ccc5ccc6c7ccccc7sc6c5c4c3)c2)cc(-c2ccc3ccc4ccccc4c3c2)c1.c1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc(-c2ccc3ccc4ccc5c6ccccc6sc5c4c3c2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ccc3ccc4ccc5c6ccccc6sc5c4c3c2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5ccc6ccc7c(c6c5c4)Cc4ccccc4-7)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5ccc6ccc7ccc8c9ccccc9sc8c7c6c5)c4)c3)c2)cc1.c1ccc2c(c1)ccc1c3cc(-c4ccc(-c5ccc(-c6ccc7ccc8ccc9c%10ccccc%10sc9c8c7c6)cc5)cc4)ccc3ccc21.c1ccc2c(c1)sc1c2ccc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)cc3c21.

What is the InChIKey of 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

The InChIKey is SUBUWBFUQACRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H30S.C50H32S.C46H28S.C45H30.C44H26OS.C44H26S2.C44H26S/c2*1-2-15-41-39(13-1)40-14-3-4-16-42(40)47-30-38(24-25-43(41)47)36-12-8-10-34(28-36)33-9-7-11-35(27-33)37-22-20-31-19-21-32-23-26-45-44-17-5-6-18-48(44)51-50(45)49(32)46(31)29-37;1-2-9-41-39(7-1)40-8-3-4-10-42(40)47-30-38(26-27-43(41)47)34-19-15-32(16-20-34)31-13-17-33(18-14-31)37-24-22-35-21-23-36-25-28-45-44-11-5-6-12-48(44)51-50(45)49(36)46(35)29-37;1-2-6-41-35(5-1)23-27-43-42(41)26-24-36-18-21-39(29-46(36)43)33-13-9-31(10-14-33)32-11-15-34(16-12-32)40-22-19-37-17-20-38-25-28-45-44-7-3-4-8-48(44)51-50(45)49(38)47(37)30-40;1-3-11-33(12-4-1)42-29-43(34-13-5-2-6-14-34)31-44(30-42)40-18-10-16-38(28-40)37-15-9-17-39(27-37)41-24-22-35-21-23-36-25-26-46-45-19-7-8-20-48(45)51-50(46)49(36)47(35)32-41;1-2-12-39-29(7-1)15-16-30-18-21-37(27-42(30)39)35-10-5-8-33(25-35)34-9-6-11-36(26-34)38-22-19-31-17-20-32-23-24-41-40-13-3-4-14-44(40)47-46(41)45(32)43(31)28-38;1-3-10-30(11-4-1)38-25-39(31-12-5-2-6-13-31)27-40(26-38)35-16-9-15-34(24-35)36-21-19-32-18-20-33-22-23-42-41-17-8-7-14-37(41)29-44(42)45(33)43(32)28-36;2*1-3-16-40-35(12-1)37-15-7-14-34(43(37)45-40)33-11-6-10-31(25-33)29-8-5-9-30(24-29)32-21-19-27-18-20-28-22-23-38-36-13-2-4-17-41(36)46-44(38)42(28)39(27)26-32;1-2-9-35-27(6-1)18-22-37-36(35)21-19-28-13-16-33(25-40(28)37)31-7-5-8-32(24-31)34-17-14-29-12-15-30-20-23-39-38-10-3-4-11-42(38)45-44(39)43(30)41(29)26-34/h4*1-30H;1-32H;1-28H;1-28H,29H2;2*1-26H;1-26H.

What are the key properties of 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?

19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene has a molecular weight of 6308.18 g/mol, XLogP of 140.03, 32 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(4-chrysen-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-(3-chrysen-3-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;19-[3-(3-phenanthren-3-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;4-[3-[3-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-19-yl)phenyl]phenyl]dibenzofuran;bis(19-[3-(3-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene);19-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene is sourced from PubChem (CID 160937636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).