6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

C260H150O5S5 — CID 159939335

IUPAC6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5cc5c4sc4ccc6c7ccccc7oc6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5cc5c4sc4ccc6oc7ccccc7c6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6c(cc5c4)sc4cc5oc7ccccc7c5cc46)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6oc7cc8c(cc7c6cc5c4)sc4ccccc48)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc6sc7c(ccc8c9ccccc9oc87)c6c6ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/5C52H30OS/c1-2-12-31(13-3-1)48-39-17-6-8-19-41(39)49(42-20-9-7-18-40(42)48)35-25-23-32-28-34(24-22-33(32)29-35)45-30-47-50(38-16-5-4-14-36(38)45)44-27-26-43-37-15-10-11-21-46(37)53-51(43)52(44)54-47;1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-25-24-35(36-14-4-5-15-37(36)43)33-23-22-32-28-47-44(27-34(32)26-33)45-30-50-46(29-48(45)53-47)38-16-10-11-21-49(38)54-50;1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-25-24-35(36-14-4-5-15-37(36)43)33-23-22-32-27-45-46-29-44-38-16-10-11-21-47(38)53-48(44)30-50(46)54-49(45)28-34(32)26-33;1-2-14-31(15-3-1)47-37-21-8-10-23-39(37)48(40-24-11-9-22-38(40)47)41-26-27-42(35-19-7-6-18-34(35)41)49-33-17-5-4-16-32(33)30-44-50-46(54-52(44)49)29-28-43-36-20-12-13-25-45(36)53-51(43)50;1-2-14-31(15-3-1)47-36-20-8-10-22-38(36)48(39-23-11-9-21-37(39)47)40-26-27-41(35-19-7-6-18-34(35)40)49-33-17-5-4-16-32(33)30-43-51-46(54-52(43)49)29-28-45-50(51)42-24-12-13-25-44(42)53-45/h5*1-30H
InChIKeyOARCFGMYZHDEKM-UHFFFAOYSA-N
MW3514.39 g/mol
LogP77.84
Rot. Bonds15

About 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (PubChem CID 159939335) has the molecular formula C260H150O5S5 and a molecular weight of 3514.39 g/mol. Its IUPAC name is 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
PubChem CID159939335
Molecular FormulaC260H150O5S5
Molecular Weight3514.39 g/mol
Exact Mass3511.01
IUPAC Name6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5cc5c4sc4ccc6c7ccccc7oc6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5cc5c4sc4ccc6oc7ccccc7c6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6c(cc5c4)sc4cc5oc7ccccc7c5cc46)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6oc7cc8c(cc7c6cc5c4)sc4ccccc48)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc6sc7c(ccc8c9ccccc9oc87)c6c6ccccc56)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/5C52H30OS/c1-2-12-31(13-3-1)48-39-17-6-8-19-41(39)49(42-20-9-7-18-40(42)48)35-25-23-32-28-34(24-22-33(32)29-35)45-30-47-50(38-16-5-4-14-36(38)45)44-27-26-43-37-15-10-11-21-46(37)53-51(43)52(44)54-47;1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-25-24-35(36-14-4-5-15-37(36)43)33-23-22-32-28-47-44(27-34(32)26-33)45-30-50-46(29-48(45)53-47)38-16-10-11-21-49(38)54-50;1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-25-24-35(36-14-4-5-15-37(36)43)33-23-22-32-27-45-46-29-44-38-16-10-11-21-47(38)53-48(44)30-50(46)54-49(45)28-34(32)26-33;1-2-14-31(15-3-1)47-37-21-8-10-23-39(37)48(40-24-11-9-22-38(40)47)41-26-27-42(35-19-7-6-18-34(35)41)49-33-17-5-4-16-32(33)30-44-50-46(54-52(44)49)29-28-43-36-20-12-13-25-45(36)53-51(43)50;1-2-14-31(15-3-1)47-36-20-8-10-22-38(36)48(39-23-11-9-21-37(39)47)40-26-27-41(35-19-7-6-18-34(35)40)49-33-17-5-4-16-32(33)30-43-51-46(54-52(43)49)29-28-45-50(51)42-24-12-13-25-44(42)53-45/h5*1-30H
InChIKeyOARCFGMYZHDEKM-UHFFFAOYSA-N
XLogP77.84
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms270
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003514.39
LogP ≤ 577.84
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-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
The IUPAC name of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (CID 159939335) is 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.
What is the SMILES notation for 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
The canonical SMILES for 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5cc5c4sc4ccc6c7ccccc7oc6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5cc5c4sc4ccc6oc7ccccc7c6c45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6c(cc5c4)sc4cc5oc7ccccc7c5cc46)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc6oc7cc8c(cc7c6cc5c4)sc4ccccc48)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc6sc7c(ccc8c9ccccc9oc87)c6c6ccccc56)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
The InChIKey is OARCFGMYZHDEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/5C52H30OS/c1-2-12-31(13-3-1)48-39-17-6-8-19-41(39)49(42-20-9-7-18-40(42)48)35-25-23-32-28-34(24-22-33(32)29-35)45-30-47-50(38-16-5-4-14-36(38)45)44-27-26-43-37-15-10-11-21-46(37)53-51(43)52(44)54-47;1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-25-24-35(36-14-4-5-15-37(36)43)33-23-22-32-28-47-44(27-34(32)26-33)45-30-50-46(29-48(45)53-47)38-16-10-11-21-49(38)54-50;1-2-12-31(13-3-1)51-39-17-6-8-19-41(39)52(42-20-9-7-18-40(42)51)43-25-24-35(36-14-4-5-15-37(36)43)33-23-22-32-27-45-46-29-44-38-16-10-11-21-47(38)53-48(44)30-50(46)54-49(45)28-34(32)26-33;1-2-14-31(15-3-1)47-37-21-8-10-23-39(37)48(40-24-11-9-22-38(40)47)41-26-27-42(35-19-7-6-18-34(35)41)49-33-17-5-4-16-32(33)30-44-50-46(54-52(44)49)29-28-43-36-20-12-13-25-45(36)53-51(43)50;1-2-14-31(15-3-1)47-36-20-8-10-22-38(36)48(39-23-11-9-21-37(39)47)40-26-27-41(35-19-7-6-18-34(35)40)49-33-17-5-4-16-32(33)30-43-51-46(54-52(43)49)29-28-45-50(51)42-24-12-13-25-44(42)53-45/h5*1-30H.
What are the key properties of 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene has a molecular weight of 3514.39 g/mol, XLogP of 77.84, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-16-oxa-12-thiahexacyclo[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;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-15-oxa-12-thiahexacyclo[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;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3-oxa-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9-oxa-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 159939335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).