21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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

C352H206N6O4S2 — CID 165026751

About 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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

21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 165026751) has the molecular formula C352H206N6O4S2 and a molecular weight of 4647.69 g/mol. Its IUPAC name is 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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: 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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: 165026751
• Molecular Formula: C352H206N6O4S2
• Molecular Weight: 4647.69 g/mol
• Exact Mass: 4643.55
• IUPAC Name: 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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(-c2cccc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6c6cc(-c7ccc8oc9ccc(-c%10cccc%11ccccc%10%11)cc9c8c7)ccc6c5c43)c2)cc1.c1ccc(-n2c3cc4c5ccc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)cc5c5ccccc5c4cc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3cc4ccccc4cc3c3ccc4c5ccccc5c5cc(-c6ccc7oc8ccc(-c9ccc%10cc%11ccccc%11cc%10c9)cc8c7c6)ccc5c4c32)cc1.c1ccc(-n2c3ccc4ccccc4c3c3c4c5ccccc5c5cc(-c6ccc7oc8ccc(-c9c%10ccccc%10cc%10ccccc9%10)cc8c7c6)ccc5c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7sc8ccc(-c9ccc%10c%11cccc%12cccc(c%13cccc9c%13%10)c%12%11)cc8c7c6)cc5c5ccccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc7c(c6)sc6cc(-c8cccc9ccccc89)ccc67)cc5c5ccccc5c4c32)cc1
• InChI: InChI=1S/C62H37NO.C62H35NS.2C60H35NO.C56H33NO.C52H31NS/c1-2-12-38(13-3-1)41-17-10-18-45(34-41)63-57-31-25-40-15-5-7-20-48(40)60(57)53-30-29-51-49-21-8-9-22-50(49)54-35-42(24-28-52(54)61(51)62(53)63)43-26-32-58-55(36-43)56-37-44(27-33-59(56)64-58)47-23-11-16-39-14-4-6-19-46(39)47;1-2-13-40(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;1-2-15-42(16-3-1)61-53-28-23-36-12-4-7-17-43(36)59(53)60-54(61)29-27-49-47-26-22-37(33-50(47)46-20-10-11-21-48(46)58(49)60)38-24-30-55-51(34-38)52-35-41(25-31-56(52)62-55)57-44-18-8-5-13-39(44)32-40-14-6-9-19-45(40)57;1-2-14-46(15-3-1)61-56-35-39-13-7-6-12-38(39)32-53(56)51-25-24-49-47-16-8-9-17-48(47)52-31-42(20-23-50(52)59(49)60(51)61)44-22-27-58-55(34-44)54-33-43(21-26-57(54)62-58)40-18-19-41-28-36-10-4-5-11-37(36)29-45(41)30-40;1-2-13-41(14-3-1)57-52-25-21-35-11-6-7-15-42(35)56(52)51-32-47-44-17-9-8-16-43(44)46-29-38(20-24-45(46)48(47)33-53(51)57)40-23-27-55-50(31-40)49-30-39(22-26-54(49)58-55)37-19-18-34-10-4-5-12-36(34)28-37;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/h1-37H;1-35H;2*1-35H;1-33H;1-31H
• InChIKey: LZZIZORYCYMKCO-UHFFFAOYSA-N
• XLogP: 100.20
• TPSA: 82.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 364
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4647.69
LogP ≤ 5	100.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 165026751) is 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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(-c2cccc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6c6cc(-c7ccc8oc9ccc(-c%10cccc%11ccccc%10%11)cc9c8c7)ccc6c5c43)c2)cc1.c1ccc(-n2c3cc4c5ccc(-c6ccc7oc8ccc(-c9ccc%10ccccc%10c9)cc8c7c6)cc5c5ccccc5c4cc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3cc4ccccc4cc3c3ccc4c5ccccc5c5cc(-c6ccc7oc8ccc(-c9ccc%10cc%11ccccc%11cc%10c9)cc8c7c6)ccc5c4c32)cc1.c1ccc(-n2c3ccc4ccccc4c3c3c4c5ccccc5c5cc(-c6ccc7oc8ccc(-c9c%10ccccc%10cc%10ccccc9%10)cc8c7c6)ccc5c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7sc8ccc(-c9ccc%10c%11cccc%12cccc(c%13cccc9c%13%10)c%12%11)cc8c7c6)cc5c5ccccc5c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc7c(c6)sc6cc(-c8cccc9ccccc89)ccc67)cc5c5ccccc5c4c32)cc1.

What is the InChIKey of 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 LZZIZORYCYMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NO.C62H35NS.2C60H35NO.C56H33NO.C52H31NS/c1-2-12-38(13-3-1)41-17-10-18-45(34-41)63-57-31-25-40-15-5-7-20-48(40)60(57)53-30-29-51-49-21-8-9-22-50(49)54-35-42(24-28-52(54)61(51)62(53)63)43-26-32-58-55(36-43)56-37-44(27-33-59(56)64-58)47-23-11-16-39-14-4-6-19-46(39)47;1-2-13-40(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;1-2-15-42(16-3-1)61-53-28-23-36-12-4-7-17-43(36)59(53)60-54(61)29-27-49-47-26-22-37(33-50(47)46-20-10-11-21-48(46)58(49)60)38-24-30-55-51(34-38)52-35-41(25-31-56(52)62-55)57-44-18-8-5-13-39(44)32-40-14-6-9-19-45(40)57;1-2-14-46(15-3-1)61-56-35-39-13-7-6-12-38(39)32-53(56)51-25-24-49-47-16-8-9-17-48(47)52-31-42(20-23-50(52)59(49)60(51)61)44-22-27-58-55(34-44)54-33-43(21-26-57(54)62-58)40-18-19-41-28-36-10-4-5-11-37(36)29-45(41)30-40;1-2-13-41(14-3-1)57-52-25-21-35-11-6-7-15-42(35)56(52)51-32-47-44-17-9-8-16-43(44)46-29-38(20-24-45(46)48(47)33-53(51)57)40-23-27-55-50(31-40)49-30-39(22-26-54(49)58-55)37-19-18-34-10-4-5-12-36(34)28-37;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/h1-37H;1-35H;2*1-35H;1-33H;1-31H.

What are the key properties of 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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?

21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 4647.69 g/mol, XLogP of 100.20, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(8-anthracen-9-yldibenzofuran-2-yl)-13-phenyl-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaene;26-(8-anthracen-2-yldibenzofuran-2-yl)-3-phenyl-3-azaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaene;21-(8-naphthalen-2-yldibenzofuran-2-yl)-14-phenyl-14-azaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene;26-(8-naphthalen-1-yldibenzofuran-2-yl)-3-(3-phenylphenyl)-3-azaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;5-(7-naphthalen-1-yldibenzothiophen-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;10-(8-perylen-3-yldibenzothiophen-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 165026751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).