6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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

C288H168S12 — CID 162201236

IUPAC6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4c5ccc5c6ccccc6sc54)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4c5ccc5sc6ccccc6c54)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4cc6c(cc45)sc4ccccc46)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4cc6sc7ccccc7c6cc45)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4ccc6c7ccccc7sc6c45)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4ccc6sc7ccccc7c6c45)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/6C48H28S2/c1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)42-25-32(24-31-14-4-5-15-33(31)42)30-22-23-35-41-28-45-40(27-46(41)50-44(35)26-30)34-16-10-11-21-43(34)49-45;1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)42-25-32(24-31-14-4-5-15-33(31)42)30-22-23-35-41-27-40-34-16-10-11-21-43(34)49-45(40)28-46(41)50-44(35)26-30;1-2-12-29(13-3-1)45-36-17-6-8-19-38(36)46(39-20-9-7-18-37(39)45)42-27-32(26-31-14-4-5-15-33(31)42)30-22-23-35-41-25-24-40-34-16-10-11-21-43(34)49-47(40)48(41)50-44(35)28-30;1-2-12-29(13-3-1)45-35-17-6-8-19-37(35)46(38-20-9-7-18-36(38)45)41-27-32(26-31-14-4-5-15-33(31)41)30-22-23-40-44(28-30)49-43-25-24-39-34-16-10-11-21-42(34)50-48(39)47(40)43;1-2-12-29(13-3-1)45-35-16-6-8-18-37(35)46(38-19-9-7-17-36(38)45)41-27-32(26-31-14-4-5-15-33(31)41)30-22-23-34-39-24-25-43-47(48(39)50-44(34)28-30)40-20-10-11-21-42(40)49-43;1-2-12-29(13-3-1)45-34-16-6-8-18-36(34)46(37-19-9-7-17-35(37)45)40-27-32(26-31-14-4-5-15-33(31)40)30-22-23-39-44(28-30)50-43-25-24-42-47(48(39)43)38-20-10-11-21-41(38)49-42/h6*1-28H
InChIKeyZRPNCITUXBZPMS-UHFFFAOYSA-N
MW4013.32 g/mol
LogP89.30
Rot. Bonds18

About 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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

6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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 (PubChem CID 162201236) has the molecular formula C288H168S12 and a molecular weight of 4013.32 g/mol. Its IUPAC name is 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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.

Molecular Properties

Compound Name6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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
PubChem CID162201236
Molecular FormulaC288H168S12
Molecular Weight4013.32 g/mol
Exact Mass4008.98
IUPAC Name6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4c5ccc5c6ccccc6sc54)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4c5ccc5sc6ccccc6c54)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4cc6c(cc45)sc4ccccc46)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4cc6sc7ccccc7c6cc45)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4ccc6c7ccccc7sc6c45)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4ccc6sc7ccccc7c6c45)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/6C48H28S2/c1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)42-25-32(24-31-14-4-5-15-33(31)42)30-22-23-35-41-28-45-40(27-46(41)50-44(35)26-30)34-16-10-11-21-43(34)49-45;1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)42-25-32(24-31-14-4-5-15-33(31)42)30-22-23-35-41-27-40-34-16-10-11-21-43(34)49-45(40)28-46(41)50-44(35)26-30;1-2-12-29(13-3-1)45-36-17-6-8-19-38(36)46(39-20-9-7-18-37(39)45)42-27-32(26-31-14-4-5-15-33(31)42)30-22-23-35-41-25-24-40-34-16-10-11-21-43(34)49-47(40)48(41)50-44(35)28-30;1-2-12-29(13-3-1)45-35-17-6-8-19-37(35)46(38-20-9-7-18-36(38)45)41-27-32(26-31-14-4-5-15-33(31)41)30-22-23-40-44(28-30)49-43-25-24-39-34-16-10-11-21-42(34)50-48(39)47(40)43;1-2-12-29(13-3-1)45-35-16-6-8-18-37(35)46(38-19-9-7-17-36(38)45)41-27-32(26-31-14-4-5-15-33(31)41)30-22-23-34-39-24-25-43-47(48(39)50-44(34)28-30)40-20-10-11-21-42(40)49-43;1-2-12-29(13-3-1)45-34-16-6-8-18-36(34)46(37-19-9-7-17-35(37)45)40-27-32(26-31-14-4-5-15-33(31)40)30-22-23-39-44(28-30)50-43-25-24-42-47(48(39)43)38-20-10-11-21-41(38)49-42/h6*1-28H
InChIKeyZRPNCITUXBZPMS-UHFFFAOYSA-N
XLogP89.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004013.32
LogP ≤ 589.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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 with MolForge

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Related Compounds

7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427294
3-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene
CID 146350658
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
7-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dithiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;19-[3-(10-phenylanthracen-9-yl)phenyl]-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 161401033
8-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122425759
17-[10-(4-phenylnaphthalen-1-yl)anthracen-9-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 122425970
6-[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(8),4,6,11,14,16(24),17,19,21-undecaene
CID 130213049
16-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 122427479
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
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
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
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,23-dithiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 130190960

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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?
The IUPAC name of 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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 162201236) is 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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.
What is the SMILES notation for 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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?
The canonical SMILES for 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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 is c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4c5ccc5c6ccccc6sc54)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4c5ccc5sc6ccccc6c54)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4cc6c(cc45)sc4ccccc46)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4cc6sc7ccccc7c6cc45)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4ccc6c7ccccc7sc6c45)cc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)sc4ccc6sc7ccccc7c6c45)cc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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?
The InChIKey is ZRPNCITUXBZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/6C48H28S2/c1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)42-25-32(24-31-14-4-5-15-33(31)42)30-22-23-35-41-28-45-40(27-46(41)50-44(35)26-30)34-16-10-11-21-43(34)49-45;1-2-12-29(13-3-1)47-36-17-6-8-19-38(36)48(39-20-9-7-18-37(39)47)42-25-32(24-31-14-4-5-15-33(31)42)30-22-23-35-41-27-40-34-16-10-11-21-43(34)49-45(40)28-46(41)50-44(35)26-30;1-2-12-29(13-3-1)45-36-17-6-8-19-38(36)46(39-20-9-7-18-37(39)45)42-27-32(26-31-14-4-5-15-33(31)42)30-22-23-35-41-25-24-40-34-16-10-11-21-43(34)49-47(40)48(41)50-44(35)28-30;1-2-12-29(13-3-1)45-35-17-6-8-19-37(35)46(38-20-9-7-18-36(38)45)41-27-32(26-31-14-4-5-15-33(31)41)30-22-23-40-44(28-30)49-43-25-24-39-34-16-10-11-21-42(34)50-48(39)47(40)43;1-2-12-29(13-3-1)45-35-16-6-8-18-37(35)46(38-19-9-7-17-36(38)45)41-27-32(26-31-14-4-5-15-33(31)41)30-22-23-34-39-24-25-43-47(48(39)50-44(34)28-30)40-20-10-11-21-42(40)49-43;1-2-12-29(13-3-1)45-34-16-6-8-18-36(34)46(37-19-9-7-17-35(37)45)40-27-32(26-31-14-4-5-15-33(31)40)30-22-23-39-44(28-30)50-43-25-24-42-47(48(39)43)38-20-10-11-21-41(38)49-42/h6*1-28H.
What are the key properties of 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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?
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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 has a molecular weight of 4013.32 g/mol, XLogP of 89.30, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;6-[4-(10-phenylanthracen-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;6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene;17-[4-(10-phenylanthracen-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 is sourced from PubChem (CID 162201236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).