9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C302H176S10 — CID 162133892

IUPAC9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6cc7c(cc6c5c5ccccc45)sc4ccccc47)c4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6ccc7sc8ccccc8c7c6c5c5ccccc45)c4ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6c(ccc7sc8ccccc8c76)c5c5ccccc45)c4ccccc34)c3ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7c(ccc8c9ccccc9sc87)c6c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7cc8sc9ccccc9c8cc7c6c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/3C62H36S2.2C58H34S2/c1-2-19-40-37(15-1)16-14-29-41(40)38-17-13-18-39(35-38)58-47-24-7-9-26-49(47)59(50-27-10-8-25-48(50)58)51-32-31-45(42-20-3-4-21-43(42)51)54-36-57-60(46-23-6-5-22-44(46)54)53-33-34-56-61(62(53)64-57)52-28-11-12-30-55(52)63-56;1-2-15-38-32-40(29-28-37(38)14-1)39-16-13-17-41(33-39)60-48-23-7-9-25-50(48)61(51-26-10-8-24-49(51)60)52-31-30-45(42-18-3-4-19-43(42)52)53-34-59-62(47-22-6-5-20-44(47)53)55-36-57-54(35-58(55)64-59)46-21-11-12-27-56(46)63-57;1-2-15-38-34-40(29-28-37(38)14-1)39-16-13-17-41(35-39)58-47-22-7-9-24-49(47)59(50-25-10-8-23-48(50)58)51-31-30-45(42-18-3-4-19-43(42)51)53-36-57-60(46-21-6-5-20-44(46)53)62-56(64-57)33-32-55-61(62)52-26-11-12-27-54(52)63-55;1-2-15-35(16-3-1)36-17-14-18-37(31-36)56-44-24-8-10-26-46(44)57(47-27-11-9-25-45(47)56)48-30-29-41(38-19-4-5-20-39(38)48)49-33-55-58(43-23-7-6-21-40(43)49)51-32-50-42-22-12-13-28-52(42)59-53(50)34-54(51)60-55;1-2-15-35(16-3-1)36-17-14-18-37(33-36)54-44-24-8-10-26-46(44)55(47-27-11-9-25-45(47)54)48-30-29-41(38-19-4-5-20-39(38)48)51-34-53-56(43-23-7-6-21-40(43)51)50-32-31-49-42-22-12-13-28-52(42)59-57(49)58(50)60-53/h3*1-36H;2*1-34H
InChIKeyZIZZLCRFABJQKS-UHFFFAOYSA-N
MW4125.40 g/mol
LogP91.98
Rot. Bonds20

About 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 162133892) has the molecular formula C302H176S10 and a molecular weight of 4125.40 g/mol. Its IUPAC name is 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID162133892
Molecular FormulaC302H176S10
Molecular Weight4125.40 g/mol
Exact Mass4121.10
IUPAC Name9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6cc7c(cc6c5c5ccccc45)sc4ccccc47)c4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6ccc7sc8ccccc8c7c6c5c5ccccc45)c4ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6c(ccc7sc8ccccc8c76)c5c5ccccc45)c4ccccc34)c3ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7c(ccc8c9ccccc9sc87)c6c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7cc8sc9ccccc9c8cc7c6c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/3C62H36S2.2C58H34S2/c1-2-19-40-37(15-1)16-14-29-41(40)38-17-13-18-39(35-38)58-47-24-7-9-26-49(47)59(50-27-10-8-25-48(50)58)51-32-31-45(42-20-3-4-21-43(42)51)54-36-57-60(46-23-6-5-22-44(46)54)53-33-34-56-61(62(53)64-57)52-28-11-12-30-55(52)63-56;1-2-15-38-32-40(29-28-37(38)14-1)39-16-13-17-41(33-39)60-48-23-7-9-25-50(48)61(51-26-10-8-24-49(51)60)52-31-30-45(42-18-3-4-19-43(42)52)53-34-59-62(47-22-6-5-20-44(47)53)55-36-57-54(35-58(55)64-59)46-21-11-12-27-56(46)63-57;1-2-15-38-34-40(29-28-37(38)14-1)39-16-13-17-41(35-39)58-47-22-7-9-24-49(47)59(50-25-10-8-23-48(50)58)51-31-30-45(42-18-3-4-19-43(42)51)53-36-57-60(46-21-6-5-20-44(46)53)62-56(64-57)33-32-55-61(62)52-26-11-12-27-54(52)63-55;1-2-15-35(16-3-1)36-17-14-18-37(31-36)56-44-24-8-10-26-46(44)57(47-27-11-9-25-45(47)56)48-30-29-41(38-19-4-5-20-39(38)48)49-33-55-58(43-23-7-6-21-40(43)49)51-32-50-42-22-12-13-28-52(42)59-53(50)34-54(51)60-55;1-2-15-35(16-3-1)36-17-14-18-37(33-36)54-44-24-8-10-26-46(44)55(47-27-11-9-25-45(47)54)48-30-29-41(38-19-4-5-20-39(38)48)51-34-53-56(43-23-7-6-21-40(43)51)50-32-31-49-42-22-12-13-28-52(42)59-57(49)58(50)60-53/h3*1-36H;2*1-34H
InChIKeyZIZZLCRFABJQKS-UHFFFAOYSA-N
XLogP91.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms312
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004125.40
LogP ≤ 591.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 162133892) is 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6cc7c(cc6c5c5ccccc45)sc4ccccc47)c4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6ccc7sc8ccccc8c7c6c5c5ccccc45)c4ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc(-c4cc5sc6c(ccc7sc8ccccc8c76)c5c5ccccc45)c4ccccc34)c3ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7c(ccc8c9ccccc9sc87)c6c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6sc7cc8sc9ccccc9c8cc7c6c6ccccc56)c5ccccc45)c4ccccc34)c2)cc1.
What is the InChIKey of 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is ZIZZLCRFABJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C62H36S2.2C58H34S2/c1-2-19-40-37(15-1)16-14-29-41(40)38-17-13-18-39(35-38)58-47-24-7-9-26-49(47)59(50-27-10-8-25-48(50)58)51-32-31-45(42-20-3-4-21-43(42)51)54-36-57-60(46-23-6-5-22-44(46)54)53-33-34-56-61(62(53)64-57)52-28-11-12-30-55(52)63-56;1-2-15-38-32-40(29-28-37(38)14-1)39-16-13-17-41(33-39)60-48-23-7-9-25-50(48)61(51-26-10-8-24-49(51)60)52-31-30-45(42-18-3-4-19-43(42)52)53-34-59-62(47-22-6-5-20-44(47)53)55-36-57-54(35-58(55)64-59)46-21-11-12-27-56(46)63-57;1-2-15-38-34-40(29-28-37(38)14-1)39-16-13-17-41(35-39)58-47-22-7-9-24-49(47)59(50-25-10-8-23-48(50)58)51-31-30-45(42-18-3-4-19-43(42)51)53-36-57-60(46-21-6-5-20-44(46)53)62-56(64-57)33-32-55-61(62)52-26-11-12-27-54(52)63-55;1-2-15-35(16-3-1)36-17-14-18-37(31-36)56-44-24-8-10-26-46(44)57(47-27-11-9-25-45(47)56)48-30-29-41(38-19-4-5-20-39(38)48)49-33-55-58(43-23-7-6-21-40(43)49)51-32-50-42-22-12-13-28-52(42)59-53(50)34-54(51)60-55;1-2-15-35(16-3-1)36-17-14-18-37(33-36)54-44-24-8-10-26-46(44)55(47-27-11-9-25-45(47)54)48-30-29-41(38-19-4-5-20-39(38)48)51-34-53-56(43-23-7-6-21-40(43)51)50-32-31-49-42-22-12-13-28-52(42)59-57(49)58(50)60-53/h3*1-36H;2*1-34H.
What are the key properties of 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 4125.40 g/mol, XLogP of 91.98, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;17-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;21-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,15-dithiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12,16-dithiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 162133892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).