21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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

C426H254O5SSi — CID 158962661

About 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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

21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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 (PubChem CID 158962661) has the molecular formula C426H254O5SSi and a molecular weight of 5512.87 g/mol. Its IUPAC name is 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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.

Molecular Properties

• Compound Name: 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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
• PubChem CID: 158962661
• Molecular Formula: C426H254O5SSi
• Molecular Weight: 5512.87 g/mol
• Exact Mass: 5507.91
• IUPAC Name: 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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
• SMILES: C1=CC2=CC=C3C=CC(c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)oc6ccc7ccccc7c68)c6ccccc56)c5ccccc45)=C4C=CC(=C1)C2C34.C[Si]1(C)c2c(ccc3ccccc23)-c2ccc3c4ccc(-c5c6ccccc6c(-c6ccc7cc(C8=CC=C9C=CC%10=C%11C(=CC=C8C9%11)CC=C%10)ccc7c6)c6ccccc56)cc4c4ccccc4c3c21.c1cc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)sc2ccc3ccccc3c24)cc(-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)oc3ccc4ccccc4c35)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)oc3ccc4ccccc4c35)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5cc7c(cc65)oc5ccccc57)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5cc7c(cc65)oc5ccccc57)c5ccccc45)c4ccccc34)ccc12
• InChI: InChI=1S/C72H42O.C70H46Si.C62H36O.2C58H34O.C58H34S.C48H28O/c1-2-17-46-41(14-1)33-37-64-70(46)63-39-61-48-19-4-3-18-47(48)60-38-45(32-34-49(60)62(61)40-65(63)73-64)67-50-20-5-9-24-54(50)71(55-25-10-6-21-51(55)67)72-56-26-11-7-22-52(56)69(53-23-8-12-27-57(53)72)59-36-31-44-29-28-42-15-13-16-43-30-35-58(59)68(44)66(42)43;1-71(2)69-51-15-4-3-12-41(51)28-35-61(69)62-37-36-60-53-33-31-49(40-63(53)52-16-5-6-17-54(52)68(60)70(62)71)66-57-20-9-7-18-55(57)65(56-19-8-10-21-58(56)66)48-27-25-45-38-47(26-24-46(45)39-48)50-32-29-44-23-22-42-13-11-14-43-30-34-59(50)67(44)64(42)43;1-2-14-41-37(13-1)25-26-38-33-40(28-29-42(38)41)61-50-20-7-9-22-52(50)62(53-23-10-8-21-51(53)61)54-32-31-43(44-15-3-4-16-45(44)54)39-27-30-48-55(34-39)46-17-5-6-18-47(46)56-35-58-49-19-11-12-24-59(49)63-60(58)36-57(48)56;1-2-16-37-35(14-1)15-13-26-45(37)57-46-22-7-9-24-48(46)58(49-25-10-8-23-47(49)57)50-31-30-38(39-17-3-4-18-40(39)50)36-28-29-43-51(32-36)41-19-5-6-20-42(41)52-33-54-44-21-11-12-27-55(44)59-56(54)34-53(43)52;1-2-14-37-30-39(25-24-35(37)12-1)38-15-11-16-40(31-38)56-46-20-7-9-22-48(46)57(49-23-10-8-21-47(49)56)41-26-28-45-50(32-41)43-18-5-6-19-44(43)51-33-53-55(34-52(45)51)59-54-29-27-36-13-3-4-17-42(36)58(53)54;1-4-17-42-35(12-1)25-29-55-58(42)54-33-52-48-23-10-9-22-47(48)51-32-37(24-26-49(51)53(52)34-56(54)59-55)36-15-11-16-38(30-36)41-27-28-50(46-21-8-7-20-45(41)46)57-43-18-5-2-13-39(43)31-40-14-3-6-19-44(40)57;1-2-13-30(14-3-1)46-36-18-8-10-20-38(36)47(39-21-11-9-19-37(39)46)31-22-24-35-40(26-31)33-16-6-7-17-34(33)41-27-43-45(28-42(35)41)49-44-25-23-29-12-4-5-15-32(29)48(43)44/h1-40,66,68H;3-13,15-40,67H,14H2,1-2H3;1-36H;3*1-34H;1-28H
• InChIKey: JMUUARQVZIBFQF-UHFFFAOYSA-N
• XLogP: 119.26
• TPSA: 65.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 433
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	5512.87
LogP ≤ 5	119.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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?

The IUPAC name of 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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 (CID 158962661) is 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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.

What is the SMILES notation for 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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?

The canonical SMILES for 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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 is C1=CC2=CC=C3C=CC(c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)oc6ccc7ccccc7c68)c6ccccc56)c5ccccc45)=C4C=CC(=C1)C2C34.C[Si]1(C)c2c(ccc3ccccc23)-c2ccc3c4ccc(-c5c6ccccc6c(-c6ccc7cc(C8=CC=C9C=CC%10=C%11C(=CC=C8C9%11)CC=C%10)ccc7c6)c6ccccc56)cc4c4ccccc4c3c21.c1cc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)sc2ccc3ccccc3c24)cc(-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)oc3ccc4ccccc4c35)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)oc3ccc4ccccc4c35)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5cc7c(cc65)oc5ccccc57)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5cc7c(cc65)oc5ccccc57)c5ccccc45)c4ccccc34)ccc12.

What is the InChIKey of 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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?

The InChIKey is JMUUARQVZIBFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42O.C70H46Si.C62H36O.2C58H34O.C58H34S.C48H28O/c1-2-17-46-41(14-1)33-37-64-70(46)63-39-61-48-19-4-3-18-47(48)60-38-45(32-34-49(60)62(61)40-65(63)73-64)67-50-20-5-9-24-54(50)71(55-25-10-6-21-51(55)67)72-56-26-11-7-22-52(56)69(53-23-8-12-27-57(53)72)59-36-31-44-29-28-42-15-13-16-43-30-35-58(59)68(44)66(42)43;1-71(2)69-51-15-4-3-12-41(51)28-35-61(69)62-37-36-60-53-33-31-49(40-63(53)52-16-5-6-17-54(52)68(60)70(62)71)66-57-20-9-7-18-55(57)65(56-19-8-10-21-58(56)66)48-27-25-45-38-47(26-24-46(45)39-48)50-32-29-44-23-22-42-13-11-14-43-30-34-59(50)67(44)64(42)43;1-2-14-41-37(13-1)25-26-38-33-40(28-29-42(38)41)61-50-20-7-9-22-52(50)62(53-23-10-8-21-51(53)61)54-32-31-43(44-15-3-4-16-45(44)54)39-27-30-48-55(34-39)46-17-5-6-18-47(46)56-35-58-49-19-11-12-24-59(49)63-60(58)36-57(48)56;1-2-16-37-35(14-1)15-13-26-45(37)57-46-22-7-9-24-48(46)58(49-25-10-8-23-47(49)57)50-31-30-38(39-17-3-4-18-40(39)50)36-28-29-43-51(32-36)41-19-5-6-20-42(41)52-33-54-44-21-11-12-27-55(44)59-56(54)34-53(43)52;1-2-14-37-30-39(25-24-35(37)12-1)38-15-11-16-40(31-38)56-46-20-7-9-22-48(46)57(49-23-10-8-21-47(49)56)41-26-28-45-50(32-41)43-18-5-6-19-44(43)51-33-53-55(34-52(45)51)59-54-29-27-36-13-3-4-17-42(36)58(53)54;1-4-17-42-35(12-1)25-29-55-58(42)54-33-52-48-23-10-9-22-47(48)51-32-37(24-26-49(51)53(52)34-56(54)59-55)36-15-11-16-38(30-36)41-27-28-50(46-21-8-7-20-45(41)46)57-43-18-5-2-13-39(43)31-40-14-3-6-19-44(40)57;1-2-13-30(14-3-1)46-36-18-8-10-20-38(36)47(39-21-11-9-19-37(39)46)31-22-24-35-40(26-31)33-16-6-7-17-34(33)41-27-43-45(28-42(35)41)49-44-25-23-29-12-4-5-15-32(29)48(43)44/h1-40,66,68H;3-13,15-40,67H,14H2,1-2H3;1-36H;3*1-34H;1-28H.

What are the key properties of 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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?

21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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 has a molecular weight of 5512.87 g/mol, XLogP of 119.26, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-(4-anthracen-9-ylnaphthalen-1-yl)phenyl]-14-thiaheptacyclo[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;21-[10-[10-(10b,10c-dihydropyren-1-yl)anthracen-9-yl]anthracen-9-yl]-14-oxaheptacyclo[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;21-[10-[6-(8,10b-dihydropyren-1-yl)naphthalen-2-yl]anthracen-9-yl]-3,3-dimethyl-3-silaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaene;5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxaheptacyclo[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;5-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]-23-oxahexacyclo[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;21-(10-phenylanthracen-9-yl)-14-oxaheptacyclo[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 is sourced from PubChem (CID 158962661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).