7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene

C260H150S10 — CID 163834300

IUPAC7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8ccc9c%10ccccc%10sc9c87)c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c8cc9sc%10ccccc%10c9cc8ccc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9c%10ccccc%10sc9c8cc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9sc%10ccccc%10c9c8cc7c6c5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/5C52H30S2/c1-2-12-36-32(10-1)11-9-18-38(36)50-41-16-5-3-14-39(41)48(40-15-4-6-17-42(40)50)33-22-20-31(21-23-33)35-26-29-47-45(30-35)44-28-25-34-24-27-43-37-13-7-8-19-46(37)53-51(43)49(34)52(44)54-47;1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-46(28-34)43-26-24-35-29-45-37-13-7-8-19-47(37)53-49(45)30-44(35)52(43)54-48;1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-45(28-34)46-30-44-35(29-49(46)53-48)24-26-43-37-13-7-8-19-47(37)54-52(43)44;1-2-12-36-32(10-1)11-9-18-37(36)50-40-15-5-3-13-38(40)48(39-14-4-6-16-41(39)50)33-22-20-31(21-23-33)35-26-28-46-44(30-35)42-27-24-34-25-29-47-51(49(34)52(42)54-46)43-17-7-8-19-45(43)53-47;1-2-12-36-32(10-1)11-9-18-37(36)51-40-15-5-3-13-38(40)50(39-14-4-6-16-41(39)51)33-22-20-31(21-23-33)34-24-26-47-44(28-34)45-30-43-35(29-49(45)54-47)25-27-48-52(43)42-17-7-8-19-46(42)53-48/h5*1-30H
InChIKeyOGJJNTBZMNOVCW-UHFFFAOYSA-N
MW3594.73 g/mol
LogP80.18
Rot. Bonds15

About 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene

7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene (PubChem CID 163834300) has the molecular formula C260H150S10 and a molecular weight of 3594.73 g/mol. Its IUPAC name is 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene.

Molecular Properties

Compound Name7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
PubChem CID163834300
Molecular FormulaC260H150S10
Molecular Weight3594.73 g/mol
Exact Mass3590.89
IUPAC Name7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8ccc9c%10ccccc%10sc9c87)c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c8cc9sc%10ccccc%10c9cc8ccc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9c%10ccccc%10sc9c8cc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9sc%10ccccc%10c9c8cc7c6c5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/5C52H30S2/c1-2-12-36-32(10-1)11-9-18-38(36)50-41-16-5-3-14-39(41)48(40-15-4-6-17-42(40)50)33-22-20-31(21-23-33)35-26-29-47-45(30-35)44-28-25-34-24-27-43-37-13-7-8-19-46(37)53-51(43)49(34)52(44)54-47;1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-46(28-34)43-26-24-35-29-45-37-13-7-8-19-47(37)53-49(45)30-44(35)52(43)54-48;1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-45(28-34)46-30-44-35(29-49(46)53-48)24-26-43-37-13-7-8-19-47(37)54-52(43)44;1-2-12-36-32(10-1)11-9-18-37(36)50-40-15-5-3-13-38(40)48(39-14-4-6-16-41(39)50)33-22-20-31(21-23-33)35-26-28-46-44(30-35)42-27-24-34-25-29-47-51(49(34)52(42)54-46)43-17-7-8-19-45(43)53-47;1-2-12-36-32(10-1)11-9-18-37(36)51-40-15-5-3-13-38(40)50(39-14-4-6-16-41(39)51)33-22-20-31(21-23-33)34-24-26-47-44(28-34)45-30-43-35(29-49(45)54-47)25-27-48-52(43)42-17-7-8-19-46(42)53-48/h5*1-30H
InChIKeyOGJJNTBZMNOVCW-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene?
The IUPAC name of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene (CID 163834300) is 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene.
What is the SMILES notation for 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene?
The canonical SMILES for 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8ccc9c%10ccccc%10sc9c87)c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c8cc9sc%10ccccc%10c9cc8ccc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9c%10ccccc%10sc9c8cc7c6c5)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8ccc9sc%10ccccc%10c9c8cc7c6c5)cc4)c4ccccc34)cccc2c1.
What is the InChIKey of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene?
The InChIKey is OGJJNTBZMNOVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/5C52H30S2/c1-2-12-36-32(10-1)11-9-18-38(36)50-41-16-5-3-14-39(41)48(40-15-4-6-17-42(40)50)33-22-20-31(21-23-33)35-26-29-47-45(30-35)44-28-25-34-24-27-43-37-13-7-8-19-46(37)53-51(43)49(34)52(44)54-47;1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-46(28-34)43-26-24-35-29-45-37-13-7-8-19-47(37)53-49(45)30-44(35)52(43)54-48;1-2-12-36-32(10-1)11-9-18-38(36)51-41-16-5-3-14-39(41)50(40-15-4-6-17-42(40)51)33-22-20-31(21-23-33)34-25-27-48-45(28-34)46-30-44-35(29-49(46)53-48)24-26-43-37-13-7-8-19-47(37)54-52(43)44;1-2-12-36-32(10-1)11-9-18-37(36)50-40-15-5-3-13-38(40)48(39-14-4-6-16-41(39)50)33-22-20-31(21-23-33)35-26-28-46-44(30-35)42-27-24-34-25-29-47-51(49(34)52(42)54-46)43-17-7-8-19-45(43)53-47;1-2-12-36-32(10-1)11-9-18-37(36)51-40-15-5-3-13-38(40)50(39-14-4-6-16-41(39)51)33-22-20-31(21-23-33)34-24-26-47-44(28-34)45-30-43-35(29-49(45)54-47)25-27-48-52(43)42-17-7-8-19-46(42)53-48/h5*1-30H.
What are the key properties of 7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene?
7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,16-dithiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene is sourced from PubChem (CID 163834300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).