5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

C334H196N6O2S4 — CID 165003595

About 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (PubChem CID 165003595) has the molecular formula C334H196N6O2S4 and a molecular weight of 4453.55 g/mol. Its IUPAC name is 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.

Molecular Properties

• Compound Name: 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
• PubChem CID: 165003595
• Molecular Formula: C334H196N6O2S4
• Molecular Weight: 4453.55 g/mol
• Exact Mass: 4449.43
• IUPAC Name: 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7oc8ccc(-c9ccc%10c%11cccc%12cccc(c%13cccc9c%13%10)c%12%11)cc8c7c6)cc5c5ccccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)ccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc7c(c6)oc6cc(-c8cccc9ccccc89)ccc67)cc5c5ccccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9ccc%10cc%11ccccc%11cc%10c9)cc8c7c6)ccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9cccc%10ccccc9%10)cc8c7c6)ccc5c4c32)cc1.c1ccc2c(-n3c4ccccc4c4c5c6ccccc6c6cc(-c7ccc8sc9ccc(-c%10c%11ccccc%11cc%11ccccc%10%11)cc9c8c7)ccc6c5ccc43)cccc2c1
• InChI: InChI=1S/C62H35NO.C60H35NS.C56H33NS.C52H31NO.2C52H31NS/c1-2-13-40(14-3-1)63-57-22-7-6-17-45(57)54-34-52-44-26-23-37(31-51(44)42-15-4-5-16-43(42)53(52)35-58(54)63)38-24-29-59-55(32-38)56-33-39(25-30-60(56)64-59)41-27-28-50-48-19-9-12-36-11-8-18-47(61(36)48)49-21-10-20-46(41)62(49)50;1-4-16-42-36(12-1)15-11-23-53(42)61-54-22-10-9-21-49(54)60-55(61)29-28-48-46-27-24-37(33-50(46)45-19-7-8-20-47(45)59(48)60)38-25-30-56-51(34-38)52-35-41(26-31-57(52)62-56)58-43-17-5-2-13-39(43)32-40-14-3-6-18-44(40)58;1-2-12-42(13-3-1)57-52-17-9-8-16-45(52)48-25-24-46-43-14-6-7-15-44(43)49-31-38(20-23-47(49)55(46)56(48)57)40-22-27-54-51(33-40)50-32-39(21-26-53(50)58-54)36-18-19-37-28-34-10-4-5-11-35(34)29-41(37)30-36;1-2-13-36(14-3-1)53-48-20-9-8-17-41(48)46-28-27-45-40-24-21-33(29-47(40)39-16-6-7-18-44(39)51(45)52(46)53)34-22-25-42-43-26-23-35(31-50(43)54-49(42)30-34)38-19-10-12-32-11-4-5-15-37(32)38;1-2-13-36(14-3-1)53-48-20-9-8-18-41(48)44-26-25-42-39-16-6-7-17-40(39)45-29-33(21-24-43(45)51(42)52(44)53)34-22-27-49-46(30-34)47-31-35(23-28-50(47)54-49)38-19-10-12-32-11-4-5-15-37(32)38;1-2-12-38(13-3-1)53-49-17-9-8-16-42(49)46-30-44-40-15-7-6-14-39(40)43-27-35(20-23-41(43)45(44)31-50(46)53)37-22-25-52-48(29-37)47-28-36(21-24-51(47)54-52)34-19-18-32-10-4-5-11-33(32)26-34/h1-35H;1-35H;1-33H;3*1-31H
• InChIKey: IPWPOBKZLLYNML-UHFFFAOYSA-N
• XLogP: 96.01
• TPSA: 55.86 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 346
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4453.55
LogP ≤ 5	96.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?

The IUPAC name of 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (CID 165003595) is 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.

What is the SMILES notation for 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?

The canonical SMILES for 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is c1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7oc8ccc(-c9ccc%10c%11cccc%12cccc(c%13cccc9c%13%10)c%12%11)cc8c7c6)cc5c5ccccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)ccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc7c(c6)oc6cc(-c8cccc9ccccc89)ccc67)cc5c5ccccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9ccc%10cc%11ccccc%11cc%10c9)cc8c7c6)ccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5c5cc(-c6ccc7sc8ccc(-c9cccc%10ccccc9%10)cc8c7c6)ccc5c4c32)cc1.c1ccc2c(-n3c4ccccc4c4c5c6ccccc6c6cc(-c7ccc8sc9ccc(-c%10c%11ccccc%11cc%11ccccc%10%11)cc9c8c7)ccc6c5ccc43)cccc2c1.

What is the InChIKey of 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?

The InChIKey is IPWPOBKZLLYNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H35NO.C60H35NS.C56H33NS.C52H31NO.2C52H31NS/c1-2-13-40(14-3-1)63-57-22-7-6-17-45(57)54-34-52-44-26-23-37(31-51(44)42-15-4-5-16-43(42)53(52)35-58(54)63)38-24-29-59-55(32-38)56-33-39(25-30-60(56)64-59)41-27-28-50-48-19-9-12-36-11-8-18-47(61(36)48)49-21-10-20-46(41)62(49)50;1-4-16-42-36(12-1)15-11-23-53(42)61-54-22-10-9-21-49(54)60-55(61)29-28-48-46-27-24-37(33-50(46)45-19-7-8-20-47(45)59(48)60)38-25-30-56-51(34-38)52-35-41(26-31-57(52)62-56)58-43-17-5-2-13-39(43)32-40-14-3-6-18-44(40)58;1-2-12-42(13-3-1)57-52-17-9-8-16-45(52)48-25-24-46-43-14-6-7-15-44(43)49-31-38(20-23-47(49)55(46)56(48)57)40-22-27-54-51(33-40)50-32-39(21-26-53(50)58-54)36-18-19-37-28-34-10-4-5-11-35(34)29-41(37)30-36;1-2-13-36(14-3-1)53-48-20-9-8-17-41(48)46-28-27-45-40-24-21-33(29-47(40)39-16-6-7-18-44(39)51(45)52(46)53)34-22-25-42-43-26-23-35(31-50(43)54-49(42)30-34)38-19-10-12-32-11-4-5-15-37(32)38;1-2-13-36(14-3-1)53-48-20-9-8-18-41(48)44-26-25-42-39-16-6-7-17-40(39)45-29-33(21-24-43(45)51(42)52(44)53)34-22-27-49-46(30-34)47-31-35(23-28-50(47)54-49)38-19-10-12-32-11-4-5-15-37(32)38;1-2-12-38(13-3-1)53-49-17-9-8-16-42(49)46-30-44-40-15-7-6-14-39(40)43-27-35(20-23-41(43)45(44)31-50(46)53)37-22-25-52-48(29-37)47-28-36(21-24-51(47)54-52)34-19-18-32-10-4-5-11-33(32)26-34/h1-35H;1-35H;1-33H;3*1-31H.

What are the key properties of 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?

5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene has a molecular weight of 4453.55 g/mol, XLogP of 96.01, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-anthracen-9-yldibenzothiophen-2-yl)-22-naphthalen-1-yl-22-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;5-(7-naphthalen-1-yldibenzofuran-3-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;5-(8-naphthalen-2-yldibenzothiophen-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;10-(8-perylen-3-yldibenzofuran-2-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is sourced from PubChem (CID 165003595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).