4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline

C402H242N6O2S4 — CID 158824863

About 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline

4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline (PubChem CID 158824863) has the molecular formula C402H242N6O2S4 and a molecular weight of 5316.67 g/mol. Its IUPAC name is 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline
• PubChem CID: 158824863
• Molecular Formula: C402H242N6O2S4
• Molecular Weight: 5316.67 g/mol
• Exact Mass: 5311.79
• IUPAC Name: 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline
• SMILES: Cc1ccc2c3ccccc3c3c4cc(C)ccc4c4ccccc4c3c2c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)ccc6c6ccccc6c5c4c3)c2)cc1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc(-c8ccccc8)c(-c8ccccc8)c7)ccc6c6ccccc6c5c4c3)cc2-c2ccccc2)cc1.c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1c1c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc3c21.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc8oc9ccccc9c8c7)ccc6c6ccccc6c5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6ccccc6c5c4c3)cccc12.c1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c6ccccc6c5c4c3)cc12.c1cnc2c(c1)ccc1ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc8ccc9cccnc9c8n7)ccc6c6ccccc6c5c4c3)nc12
• InChI: InChI=1S/2C62H40.C50H28N4.C50H30N2.C50H28O2.2C50H28S2.C28H20/c1-5-17-41(18-6-1)49-33-29-45(37-57(49)43-21-9-3-10-22-43)47-31-35-53-51-25-13-16-28-56(51)62-60-40-48(32-36-54(60)52-26-14-15-27-55(52)61(62)59(53)39-47)46-30-34-50(42-19-7-2-8-20-42)58(38-46)44-23-11-4-12-24-44;1-5-17-41(18-6-1)47-33-48(42-19-7-2-8-20-42)36-51(35-47)45-29-31-55-53-25-13-16-28-58(53)62-60-40-46(30-32-56(60)54-26-14-15-27-57(54)61(62)59(55)39-45)52-37-49(43-21-9-3-10-22-43)34-50(38-52)44-23-11-4-12-24-44;1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-51-47(29)49(31)53-43)27-41(37)46-40-12-4-2-10-36(40)38-22-18-34(28-42(38)45(39)46)44-24-20-32-16-14-30-8-6-26-52-48(30)50(32)54-44;1-3-19-41-33(13-1)35-27-25-31(51-45-21-9-5-15-37(45)38-16-6-10-22-46(38)51)29-43(35)50-42-20-4-2-14-34(42)36-28-26-32(30-44(36)49(41)50)52-47-23-11-7-17-39(47)40-18-8-12-24-48(40)52;1-3-13-39-33(9-1)35-21-17-29(31-19-23-47-41(25-31)37-11-5-7-15-45(37)51-47)27-43(35)50-40-14-4-2-10-34(40)36-22-18-30(28-44(36)49(39)50)32-20-24-48-42(26-32)38-12-6-8-16-46(38)52-48;1-3-15-39-33(11-1)35-25-23-29(31-17-9-19-41-37-13-5-7-21-45(37)51-49(31)41)27-43(35)48-40-16-4-2-12-34(40)36-26-24-30(28-44(36)47(39)48)32-18-10-20-42-38-14-6-8-22-46(38)52-50(32)42;1-3-13-39-33(9-1)35-21-17-29(31-19-23-47-41(25-31)37-11-5-7-15-45(37)51-47)27-43(35)50-40-14-4-2-10-34(40)36-22-18-30(28-44(36)49(39)50)32-20-24-48-42(26-32)38-12-6-8-16-46(38)52-48;1-17-11-13-21-19-7-3-6-10-24(19)28-26-16-18(2)12-14-22(26)20-8-4-5-9-23(20)27(28)25(21)15-17/h2*1-40H;1-28H;1-30H;3*1-28H;3-16H,1-2H3
• InChIKey: IWIFHZRFXXUUHC-UHFFFAOYSA-N
• XLogP: 115.24
• TPSA: 87.70 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 414
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5316.67
LogP ≤ 5	115.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline?

The IUPAC name of 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline (CID 158824863) is 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline.

What is the SMILES notation for 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline?

The canonical SMILES for 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline is Cc1ccc2c3ccccc3c3c4cc(C)ccc4c4ccccc4c3c2c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)ccc6c6ccccc6c5c4c3)c2)cc1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc(-c8ccccc8)c(-c8ccccc8)c7)ccc6c6ccccc6c5c4c3)cc2-c2ccccc2)cc1.c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1c1c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc3c21.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc8oc9ccccc9c8c7)ccc6c6ccccc6c5c4c3)cc12.c1ccc2c(c1)sc1c(-c3ccc4c5ccccc5c5c6cc(-c7cccc8c7sc7ccccc78)ccc6c6ccccc6c5c4c3)cccc12.c1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c6ccccc6c5c4c3)cc12.c1cnc2c(c1)ccc1ccc(-c3ccc4c5ccccc5c5c6cc(-c7ccc8ccc9cccnc9c8n7)ccc6c6ccccc6c5c4c3)nc12.

What is the InChIKey of 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline?

The InChIKey is IWIFHZRFXXUUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H40.C50H28N4.C50H30N2.C50H28O2.2C50H28S2.C28H20/c1-5-17-41(18-6-1)49-33-29-45(37-57(49)43-21-9-3-10-22-43)47-31-35-53-51-25-13-16-28-56(51)62-60-40-48(32-36-54(60)52-26-14-15-27-55(52)61(62)59(53)39-47)46-30-34-50(42-19-7-2-8-20-42)58(38-46)44-23-11-4-12-24-44;1-5-17-41(18-6-1)47-33-48(42-19-7-2-8-20-42)36-51(35-47)45-29-31-55-53-25-13-16-28-58(53)62-60-40-46(30-32-56(60)54-26-14-15-27-57(54)61(62)59(55)39-45)52-37-49(43-21-9-3-10-22-43)34-50(38-52)44-23-11-4-12-24-44;1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-51-47(29)49(31)53-43)27-41(37)46-40-12-4-2-10-36(40)38-22-18-34(28-42(38)45(39)46)44-24-20-32-16-14-30-8-6-26-52-48(30)50(32)54-44;1-3-19-41-33(13-1)35-27-25-31(51-45-21-9-5-15-37(45)38-16-6-10-22-46(38)51)29-43(35)50-42-20-4-2-14-34(42)36-28-26-32(30-44(36)49(41)50)52-47-23-11-7-17-39(47)40-18-8-12-24-48(40)52;1-3-13-39-33(9-1)35-21-17-29(31-19-23-47-41(25-31)37-11-5-7-15-45(37)51-47)27-43(35)50-40-14-4-2-10-34(40)36-22-18-30(28-44(36)49(39)50)32-20-24-48-42(26-32)38-12-6-8-16-46(38)52-48;1-3-15-39-33(11-1)35-25-23-29(31-17-9-19-41-37-13-5-7-21-45(37)51-49(31)41)27-43(35)48-40-16-4-2-12-34(40)36-26-24-30(28-44(36)47(39)48)32-18-10-20-42-38-14-6-8-22-46(38)52-50(32)42;1-3-13-39-33(9-1)35-21-17-29(31-19-23-47-41(25-31)37-11-5-7-15-45(37)51-47)27-43(35)50-40-14-4-2-10-34(40)36-22-18-30(28-44(36)49(39)50)32-20-24-48-42(26-32)38-12-6-8-16-46(38)52-48;1-17-11-13-21-19-7-3-6-10-24(19)28-26-16-18(2)12-14-22(26)20-8-4-5-9-23(20)27(28)25(21)15-17/h2*1-40H;1-28H;1-30H;3*1-28H;3-16H,1-2H3.

What are the key properties of 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline?

4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline has a molecular weight of 5316.67 g/mol, XLogP of 115.24, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,17-bis(3,4-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;4,17-bis(3,5-diphenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;9-(17-carbazol-9-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)carbazole;2-(17-dibenzofuran-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzofuran;2-(17-dibenzothiophen-2-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4-(17-dibenzothiophen-4-yl-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)dibenzothiophene;4,17-dimethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;2-[17-(1,10-phenanthrolin-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl]-1,10-phenanthroline is sourced from PubChem (CID 158824863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).