6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene

C280H164S10 — CID 163458301

IUPAC6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
SMILESC1=CC(c2ccc(-c3cc4c5ccccc5sc4c4cc5sc6ccccc6c5cc34)c3ccccc23)=c2cccc/c2=C(c2cccc3ccccc23)/C=C/CC1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)sc5c7ccccc7c7c8ccccc8sc7c65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)sc5c7ccccc7c7sc8ccccc8c7c65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8c7ccc7c9ccccc9sc78)c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8c9sc%10ccccc%10c9c9ccccc9c8c7c6)ccc5c4)c4ccccc34)cccc2c1
InChIInChI=1S/4C56H32S2.C56H36S2/c1-2-14-39-33(12-1)13-11-22-40(39)52-43-17-5-3-15-41(43)51(42-16-4-6-18-44(42)52)38-27-26-34-30-35(24-25-36(34)31-38)37-28-29-50-48(32-37)54-46-20-8-7-19-45(46)53-47-21-9-10-23-49(47)57-55(53)56(54)58-50;1-2-16-35-33(14-1)15-13-26-39(35)51-40-19-5-7-21-42(40)52(43-22-8-6-20-41(43)51)44-31-30-36(37-17-3-4-18-38(37)44)34-28-29-48-50(32-34)58-56-46-24-10-9-23-45(46)55-53(54(48)56)47-25-11-12-27-49(47)57-55;1-2-16-35-33(14-1)15-13-26-39(35)51-40-19-5-7-21-42(40)52(43-22-8-6-20-41(43)51)45-31-30-36(37-17-3-4-18-38(37)45)34-28-29-48-50(32-34)58-55-46-24-10-9-23-44(46)53-47-25-11-12-27-49(47)57-56(53)54(48)55;1-2-14-35-33(12-1)13-11-22-40(35)53-41-18-5-7-20-43(41)54(44-21-8-6-19-42(44)53)45-26-25-36(37-15-3-4-16-38(37)45)34-24-31-52-50(32-34)49-30-29-47-48(56(49)58-52)28-27-46-39-17-9-10-23-51(39)57-55(46)47;1-2-4-20-41(40-22-8-7-21-39(40)38(19-3-1)37-27-15-17-35-16-5-6-18-36(35)37)44-30-31-45(43-24-10-9-23-42(43)44)48-33-51-47-26-12-14-29-54(47)58-56(51)52-34-55-50(32-49(48)52)46-25-11-13-28-53(46)57-55/h4*1-32H;3-34H,1-2H2/b;;;;19-3+,20-4?,39-38+,41-40?
InChIKeyBMJYYJCRUGJBOQ-BMEWAKMLSA-N
MW3849.06 g/mol
LogP83.61
Rot. Bonds15

About 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene

6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene (PubChem CID 163458301) has the molecular formula C280H164S10 and a molecular weight of 3849.06 g/mol. Its IUPAC name is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
PubChem CID163458301
Molecular FormulaC280H164S10
Molecular Weight3849.06 g/mol
Exact Mass3845.00
IUPAC Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
SMILESC1=CC(c2ccc(-c3cc4c5ccccc5sc4c4cc5sc6ccccc6c5cc34)c3ccccc23)=c2cccc/c2=C(c2cccc3ccccc23)/C=C/CC1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)sc5c7ccccc7c7c8ccccc8sc7c65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)sc5c7ccccc7c7sc8ccccc8c7c65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8c7ccc7c9ccccc9sc78)c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8c9sc%10ccccc%10c9c9ccccc9c8c7c6)ccc5c4)c4ccccc34)cccc2c1
InChIInChI=1S/4C56H32S2.C56H36S2/c1-2-14-39-33(12-1)13-11-22-40(39)52-43-17-5-3-15-41(43)51(42-16-4-6-18-44(42)52)38-27-26-34-30-35(24-25-36(34)31-38)37-28-29-50-48(32-37)54-46-20-8-7-19-45(46)53-47-21-9-10-23-49(47)57-55(53)56(54)58-50;1-2-16-35-33(14-1)15-13-26-39(35)51-40-19-5-7-21-42(40)52(43-22-8-6-20-41(43)51)44-31-30-36(37-17-3-4-18-38(37)44)34-28-29-48-50(32-34)58-56-46-24-10-9-23-45(46)55-53(54(48)56)47-25-11-12-27-49(47)57-55;1-2-16-35-33(14-1)15-13-26-39(35)51-40-19-5-7-21-42(40)52(43-22-8-6-20-41(43)51)45-31-30-36(37-17-3-4-18-38(37)45)34-28-29-48-50(32-34)58-55-46-24-10-9-23-44(46)53-47-25-11-12-27-49(47)57-56(53)54(48)55;1-2-14-35-33(12-1)13-11-22-40(35)53-41-18-5-7-20-43(41)54(44-21-8-6-19-42(44)53)45-26-25-36(37-15-3-4-16-38(37)45)34-24-31-52-50(32-34)49-30-29-47-48(56(49)58-52)28-27-46-39-17-9-10-23-51(39)57-55(46)47;1-2-4-20-41(40-22-8-7-21-39(40)38(19-3-1)37-27-15-17-35-16-5-6-18-36(35)37)44-30-31-45(43-24-10-9-23-42(43)44)48-33-51-47-26-12-14-29-54(47)58-56(51)52-34-55-50(32-49(48)52)46-25-11-13-28-53(46)57-55/h4*1-32H;3-34H,1-2H2/b;;;;19-3+,20-4?,39-38+,41-40?
InChIKeyBMJYYJCRUGJBOQ-BMEWAKMLSA-N
XLogP83.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms290
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003849.06
LogP ≤ 583.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene with MolForge

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Related Compounds

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
16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426019
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzothiole;4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiole;5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzothiole;5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiole;6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzothiole;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzothiole;17-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 161359836
19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186408
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;1-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 165021765
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190996
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 122427284
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427490
18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 130190970
5-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[1,2-b][1]benzothiole
CID 122426213
1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 157305682
18-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
CID 130186419

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene?
The IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene (CID 163458301) is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene.
What is the SMILES notation for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene?
The canonical SMILES for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene is C1=CC(c2ccc(-c3cc4c5ccccc5sc4c4cc5sc6ccccc6c5cc34)c3ccccc23)=c2cccc/c2=C(c2cccc3ccccc23)/C=C/CC1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)sc5c7ccccc7c7c8ccccc8sc7c65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)sc5c7ccccc7c7sc8ccccc8c7c65)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8c7ccc7c9ccccc9sc78)c6c5)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8c9sc%10ccccc%10c9c9ccccc9c8c7c6)ccc5c4)c4ccccc34)cccc2c1.
What is the InChIKey of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene?
The InChIKey is BMJYYJCRUGJBOQ-BMEWAKMLSA-N. The full InChI is InChI=1S/4C56H32S2.C56H36S2/c1-2-14-39-33(12-1)13-11-22-40(39)52-43-17-5-3-15-41(43)51(42-16-4-6-18-44(42)52)38-27-26-34-30-35(24-25-36(34)31-38)37-28-29-50-48(32-37)54-46-20-8-7-19-45(46)53-47-21-9-10-23-49(47)57-55(53)56(54)58-50;1-2-16-35-33(14-1)15-13-26-39(35)51-40-19-5-7-21-42(40)52(43-22-8-6-20-41(43)51)44-31-30-36(37-17-3-4-18-38(37)44)34-28-29-48-50(32-34)58-56-46-24-10-9-23-45(46)55-53(54(48)56)47-25-11-12-27-49(47)57-55;1-2-16-35-33(14-1)15-13-26-39(35)51-40-19-5-7-21-42(40)52(43-22-8-6-20-41(43)51)45-31-30-36(37-17-3-4-18-38(37)45)34-28-29-48-50(32-34)58-55-46-24-10-9-23-44(46)53-47-25-11-12-27-49(47)57-56(53)54(48)55;1-2-14-35-33(12-1)13-11-22-40(35)53-41-18-5-7-20-43(41)54(44-21-8-6-19-42(44)53)45-26-25-36(37-15-3-4-16-38(37)45)34-24-31-52-50(32-34)49-30-29-47-48(56(49)58-52)28-27-46-39-17-9-10-23-51(39)57-55(46)47;1-2-4-20-41(40-22-8-7-21-39(40)38(19-3-1)37-27-15-17-35-16-5-6-18-36(35)37)44-30-31-45(43-24-10-9-23-42(43)44)48-33-51-47-26-12-14-29-54(47)58-56(51)52-34-55-50(32-49(48)52)46-25-11-13-28-53(46)57-55/h4*1-32H;3-34H,1-2H2/b;;;;19-3+,20-4?,39-38+,41-40?.
What are the key properties of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene?
6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene has a molecular weight of 3849.06 g/mol, XLogP of 83.61, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,18-dithiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene;6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene;7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;12-[4-[(10E,12E)-12-naphthalen-1-yl-8,9-dihydrobenzo[10]annulen-5-yl]naphthalen-1-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene is sourced from PubChem (CID 163458301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).