18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

C349H213N11 — CID 157230673

About 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (PubChem CID 157230673) has the molecular formula C349H213N11 and a molecular weight of 4560.62 g/mol. Its IUPAC name is 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.

Molecular Properties

• Compound Name: 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
• PubChem CID: 157230673
• Molecular Formula: C349H213N11
• Molecular Weight: 4560.62 g/mol
• Exact Mass: 4556.70
• IUPAC Name: 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)-c4cc6ccccc6c6cccc-5c46)c3)cc21.c1ccc(-c2ccc(-c3ccc4c(c3)-c3cc5ccccc5c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc3c(c2)-c2cc4ccccc4c4cccc-3c24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)-c5cc7ccccc7c7cccc-6c57)c4)ccc32)cc1.c1ccc2c(c1)ccc1c3ccccc3c3cc(-c4ccc5cnccc5c4)c4ccccc4c3c21.c1ccc2c(c1)ccc1c3ccccc3c3cc(-c4ccc5nccnc5c4)c4ccccc4c3c21.c1ccc2c(c1)ccc1c3ccccc3c3cc(-c4ncncn4)c4ccccc4c3c21.c1ccc2c(c1)ccc1ccc(-c3cc4c5ccccc5c5ccc6ccccc6c5c4c4ccccc34)nc12.c1ccc2cc3c(cc2c1)c1ccccc1c1cc(-c2ccc4ccc5ccccc5c4n2)c2ccccc2c13.c1cnc(-c2cc3c4ccccc4c4ccc5ccccc5c4c3c3ccccc23)nc1
• InChI: InChI=1S/C44H27N.C41H28.2C39H23N.C35H21N.C34H20N2.C32H20.C30H18N2.C29H17N3.C26H16/c1-2-13-33(14-3-1)45-42-19-7-6-16-36(42)40-26-31(21-23-43(40)45)29-12-8-11-28(24-29)30-20-22-35-38-18-9-17-37-34-15-5-4-10-32(34)27-41(44(37)38)39(35)25-30;1-41(2)38-16-6-5-13-32(38)33-20-18-28(24-39(33)41)26-11-7-10-25(21-26)27-17-19-31-35-15-8-14-34-30-12-4-3-9-29(30)23-37(40(34)35)36(31)22-27;1-3-11-27-24(9-1)19-21-33-29-13-5-6-14-30(29)35-23-34(31-15-7-8-16-32(31)38(35)37(27)33)36-22-20-26-18-17-25-10-2-4-12-28(25)39(26)40-36;1-2-11-27-22-35-33(21-26(27)10-1)29-13-5-6-14-30(29)36-23-34(31-15-7-8-16-32(31)38(35)36)37-20-19-25-18-17-24-9-3-4-12-28(24)39(25)40-37;1-2-8-26-22(7-1)15-16-31-27-9-3-4-10-28(27)33-20-32(24-13-14-25-21-36-18-17-23(25)19-24)29-11-5-6-12-30(29)35(33)34(26)31;1-2-8-23-21(7-1)13-15-28-24-9-3-4-10-25(24)30-20-29(22-14-16-31-32(19-22)36-18-17-35-31)26-11-5-6-12-27(26)34(30)33(23)28;1-2-7-21(8-3-1)22-13-15-23(16-14-22)24-17-18-27-29-12-6-11-28-26-10-5-4-9-25(26)20-31(32(28)29)30(27)19-24;1-2-9-20-19(8-1)14-15-25-21-10-3-4-11-22(21)26-18-27(30-31-16-7-17-32-30)23-12-5-6-13-24(23)29(26)28(20)25;1-2-8-19-18(7-1)13-14-24-20-9-3-4-10-21(20)25-15-26(29-31-16-30-17-32-29)22-11-5-6-12-23(22)28(25)27(19)24;1-2-7-17(8-3-1)18-13-14-21-23-12-6-11-22-20-10-5-4-9-19(20)16-25(26(22)23)24(21)15-18/h1-27H;3-24H,1-2H3;2*1-23H;1-21H;1-20H;1-20H;1-18H;1-17H;1-16H
• InChIKey: AUBHGYAAQPBGKM-UHFFFAOYSA-N
• XLogP: 95.22
• TPSA: 133.83 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 360
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4560.62
LogP ≤ 5	95.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

The IUPAC name of 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (CID 157230673) is 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.

What is the SMILES notation for 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

The canonical SMILES for 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)-c4cc6ccccc6c6cccc-5c46)c3)cc21.c1ccc(-c2ccc(-c3ccc4c(c3)-c3cc5ccccc5c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc3c(c2)-c2cc4ccccc4c4cccc-3c24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)-c5cc7ccccc7c7cccc-6c57)c4)ccc32)cc1.c1ccc2c(c1)ccc1c3ccccc3c3cc(-c4ccc5cnccc5c4)c4ccccc4c3c21.c1ccc2c(c1)ccc1c3ccccc3c3cc(-c4ccc5nccnc5c4)c4ccccc4c3c21.c1ccc2c(c1)ccc1c3ccccc3c3cc(-c4ncncn4)c4ccccc4c3c21.c1ccc2c(c1)ccc1ccc(-c3cc4c5ccccc5c5ccc6ccccc6c5c4c4ccccc34)nc12.c1ccc2cc3c(cc2c1)c1ccccc1c1cc(-c2ccc4ccc5ccccc5c4n2)c2ccccc2c13.c1cnc(-c2cc3c4ccccc4c4ccc5ccccc5c4c3c3ccccc23)nc1.

What is the InChIKey of 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

The InChIKey is AUBHGYAAQPBGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N.C41H28.2C39H23N.C35H21N.C34H20N2.C32H20.C30H18N2.C29H17N3.C26H16/c1-2-13-33(14-3-1)45-42-19-7-6-16-36(42)40-26-31(21-23-43(40)45)29-12-8-11-28(24-29)30-20-22-35-38-18-9-17-37-34-15-5-4-10-32(34)27-41(44(37)38)39(35)25-30;1-41(2)38-16-6-5-13-32(38)33-20-18-28(24-39(33)41)26-11-7-10-25(21-26)27-17-19-31-35-15-8-14-34-30-12-4-3-9-29(30)23-37(40(34)35)36(31)22-27;1-3-11-27-24(9-1)19-21-33-29-13-5-6-14-30(29)35-23-34(31-15-7-8-16-32(31)38(35)37(27)33)36-22-20-26-18-17-25-10-2-4-12-28(25)39(26)40-36;1-2-11-27-22-35-33(21-26(27)10-1)29-13-5-6-14-30(29)36-23-34(31-15-7-8-16-32(31)38(35)36)37-20-19-25-18-17-24-9-3-4-12-28(24)39(25)40-37;1-2-8-26-22(7-1)15-16-31-27-9-3-4-10-28(27)33-20-32(24-13-14-25-21-36-18-17-23(25)19-24)29-11-5-6-12-30(29)35(33)34(26)31;1-2-8-23-21(7-1)13-15-28-24-9-3-4-10-25(24)30-20-29(22-14-16-31-32(19-22)36-18-17-35-31)26-11-5-6-12-27(26)34(30)33(23)28;1-2-7-21(8-3-1)22-13-15-23(16-14-22)24-17-18-27-29-12-6-11-28-26-10-5-4-9-25(26)20-31(32(28)29)30(27)19-24;1-2-9-20-19(8-1)14-15-25-21-10-3-4-11-22(21)26-18-27(30-31-16-7-17-32-30)23-12-5-6-13-24(23)29(26)28(20)25;1-2-8-19-18(7-1)13-14-24-20-9-3-4-10-21(20)25-15-26(29-31-16-30-17-32-29)22-11-5-6-12-23(22)28(25)27(19)24;1-2-7-17(8-3-1)18-13-14-21-23-12-6-11-22-20-10-5-4-9-19(20)16-25(26(22)23)24(21)15-18/h1-27H;3-24H,1-2H3;2*1-23H;1-21H;1-20H;1-20H;1-18H;1-17H;1-16H.

What are the key properties of 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene has a molecular weight of 4560.62 g/mol, XLogP of 95.22, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[3-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)benzo[h]quinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)benzo[h]quinoline;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)isoquinoline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)pyrimidine;6-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)quinoxaline;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaenyl)-1,3,5-triazine;3-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)-9-phenylcarbazole;18-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene;18-(4-phenylphenyl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is sourced from PubChem (CID 157230673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).