7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene

C260H150S10 — CID 163744505

IUPAC7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9c%10ccccc%10sc9c87)c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc9c(cc8ccc7c6c5)sc5ccccc59)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc9sc%10ccccc%10c9cc8ccc7c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7cc8ccc9c%10ccccc%10sc9c8cc7c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/5C52H30S2/c1-2-10-31(11-3-1)33-18-19-35-29-36(21-20-34(35)28-33)48-39-13-4-6-15-41(39)49(42-16-7-5-14-40(42)48)37-24-27-47-45(30-37)44-26-23-32-22-25-43-38-12-8-9-17-46(38)53-51(43)50(32)52(44)54-47;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-45(28-37)43-24-22-35-29-49-46(30-44(35)52(43)54-48)38-12-8-9-17-47(38)53-49;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-45(28-37)46-30-44-35(29-49(46)53-48)22-24-43-38-12-8-9-17-47(38)54-52(43)44;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-46(29-37)43-24-22-35-28-45-38-12-8-9-17-47(38)53-49(45)30-44(35)52(43)54-48;1-2-10-31(11-3-1)34-20-18-32-19-21-35(29-37(32)28-34)48-38-12-4-6-14-40(38)49(41-15-7-5-13-39(41)48)36-24-26-46-44(30-36)42-25-22-33-23-27-47-51(50(33)52(42)54-46)43-16-8-9-17-45(43)53-47/h5*1-30H
InChIKeyLKQUYWTYHGHWHK-UHFFFAOYSA-N
MW3594.73 g/mol
LogP80.18
Rot. Bonds15

About 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene

7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene (PubChem CID 163744505) has the molecular formula C260H150S10 and a molecular weight of 3594.73 g/mol. Its IUPAC name is 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene.

Molecular Properties

Compound Name7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
PubChem CID163744505
Molecular FormulaC260H150S10
Molecular Weight3594.73 g/mol
Exact Mass3590.89
IUPAC Name7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9c%10ccccc%10sc9c87)c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc9c(cc8ccc7c6c5)sc5ccccc59)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc9sc%10ccccc%10c9cc8ccc7c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7cc8ccc9c%10ccccc%10sc9c8cc7c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/5C52H30S2/c1-2-10-31(11-3-1)33-18-19-35-29-36(21-20-34(35)28-33)48-39-13-4-6-15-41(39)49(42-16-7-5-14-40(42)48)37-24-27-47-45(30-37)44-26-23-32-22-25-43-38-12-8-9-17-46(38)53-51(43)50(32)52(44)54-47;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-45(28-37)43-24-22-35-29-49-46(30-44(35)52(43)54-48)38-12-8-9-17-47(38)53-49;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-45(28-37)46-30-44-35(29-49(46)53-48)22-24-43-38-12-8-9-17-47(38)54-52(43)44;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-46(29-37)43-24-22-35-28-45-38-12-8-9-17-47(38)53-49(45)30-44(35)52(43)54-48;1-2-10-31(11-3-1)34-20-18-32-19-21-35(29-37(32)28-34)48-38-12-4-6-14-40(38)49(41-15-7-5-13-39(41)48)36-24-26-46-44(30-36)42-25-22-33-23-27-47-51(50(33)52(42)54-46)43-16-8-9-17-45(43)53-47/h5*1-30H
InChIKeyLKQUYWTYHGHWHK-UHFFFAOYSA-N
XLogP80.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms270
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003594.73
LogP ≤ 580.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The IUPAC name of 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene (CID 163744505) is 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene.
What is the SMILES notation for 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The canonical SMILES for 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene is c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9c%10ccccc%10sc9c87)c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc9c(cc8ccc7c6c5)sc5ccccc59)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc9sc%10ccccc%10c9cc8ccc7c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6sc7cc8ccc9c%10ccccc%10sc9c8cc7c6c5)c5ccccc45)ccc3c2)cc1.c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)c5ccccc45)cc3c2)cc1.
What is the InChIKey of 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
The InChIKey is LKQUYWTYHGHWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C52H30S2/c1-2-10-31(11-3-1)33-18-19-35-29-36(21-20-34(35)28-33)48-39-13-4-6-15-41(39)49(42-16-7-5-14-40(42)48)37-24-27-47-45(30-37)44-26-23-32-22-25-43-38-12-8-9-17-46(38)53-51(43)50(32)52(44)54-47;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-45(28-37)43-24-22-35-29-49-46(30-44(35)52(43)54-48)38-12-8-9-17-47(38)53-49;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-45(28-37)46-30-44-35(29-49(46)53-48)22-24-43-38-12-8-9-17-47(38)54-52(43)44;1-2-10-31(11-3-1)32-18-19-34-27-36(21-20-33(34)26-32)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)37-23-25-48-46(29-37)43-24-22-35-28-45-38-12-8-9-17-47(38)53-49(45)30-44(35)52(43)54-48;1-2-10-31(11-3-1)34-20-18-32-19-21-35(29-37(32)28-34)48-38-12-4-6-14-40(38)49(41-15-7-5-13-39(41)48)36-24-26-46-44(30-36)42-25-22-33-23-27-47-51(50(33)52(42)54-46)43-16-8-9-17-45(43)53-47/h5*1-30H.
What are the key properties of 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene?
7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene has a molecular weight of 3594.73 g/mol, XLogP of 80.18, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene;19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;20-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene is sourced from PubChem (CID 163744505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).