11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene

C192H112O4S4 — CID 158654028

About 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene

11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene (PubChem CID 158654028) has the molecular formula C192H112O4S4 and a molecular weight of 2611.27 g/mol. Its IUPAC name is 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene.

Molecular Properties

• Compound Name: 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
• PubChem CID: 158654028
• Molecular Formula: C192H112O4S4
• Molecular Weight: 2611.27 g/mol
• Exact Mass: 2608.74
• IUPAC Name: 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5oc6ccc7ccccc7c6c5cc5sc6ccccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c6ccccc6sc5c5c4oc4c6ccccc6ccc45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5oc6c7ccccc7ccc6c5c5sc6ccccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c5ccc5c4oc4ccc6ccccc6c45)c4ccccc34)cc2)cc1
• InChI: InChI=1S/4C48H28OS/c1-2-12-29(13-3-1)30-22-24-32(25-23-30)43-35-17-6-8-19-37(35)44(38-20-9-7-18-36(38)43)41-28-40-34-16-10-11-21-42(34)50-48(40)45-39-27-26-31-14-4-5-15-33(31)46(39)49-47(41)45;1-2-12-29(13-3-1)30-22-24-32(25-23-30)43-34-16-6-8-18-36(34)45(37-19-9-7-17-35(37)43)47-46-38-20-10-11-21-41(38)50-42(46)28-39-44-33-15-5-4-14-31(33)26-27-40(44)49-48(39)47;1-2-12-29(13-3-1)30-22-24-32(25-23-30)43-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)43)40-28-41-46(48-45(40)38-20-10-11-21-42(38)50-48)39-27-26-31-14-4-5-15-33(31)47(39)49-41;1-2-10-29(11-3-1)30-18-20-32(21-19-30)44-36-14-6-8-16-38(36)45(39-17-9-7-15-37(39)44)33-22-24-35-40-25-26-41-46-34-13-5-4-12-31(34)23-27-42(46)49-47(41)48(40)50-43(35)28-33/h4*1-28H
• InChIKey: IBXFLCQHFPKIBA-UHFFFAOYSA-N
• XLogP: 57.66
• TPSA: 52.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2611.27
LogP ≤ 5	57.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

The IUPAC name of 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene (CID 158654028) is 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene.

What is the SMILES notation for 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

The canonical SMILES for 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5oc6ccc7ccccc7c6c5cc5sc6ccccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c6ccccc6sc5c5c4oc4c6ccccc6ccc45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5oc6c7ccccc7ccc6c5c5sc6ccccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c5ccc5c4oc4ccc6ccccc6c45)c4ccccc34)cc2)cc1.

What is the InChIKey of 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

The InChIKey is IBXFLCQHFPKIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C48H28OS/c1-2-12-29(13-3-1)30-22-24-32(25-23-30)43-35-17-6-8-19-37(35)44(38-20-9-7-18-36(38)43)41-28-40-34-16-10-11-21-42(34)50-48(40)45-39-27-26-31-14-4-5-15-33(31)46(39)49-47(41)45;1-2-12-29(13-3-1)30-22-24-32(25-23-30)43-34-16-6-8-18-36(34)45(37-19-9-7-17-35(37)43)47-46-38-20-10-11-21-41(38)50-42(46)28-39-44-33-15-5-4-14-31(33)26-27-40(44)49-48(39)47;1-2-12-29(13-3-1)30-22-24-32(25-23-30)43-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)43)40-28-41-46(48-45(40)38-20-10-11-21-42(38)50-48)39-27-26-31-14-4-5-15-33(31)47(39)49-41;1-2-10-29(11-3-1)30-18-20-32(21-19-30)44-36-14-6-8-16-38(36)45(39-17-9-7-15-37(39)44)33-22-24-35-40-25-26-41-46-34-13-5-4-12-31(34)23-27-42(46)49-47(41)48(40)50-43(35)28-33/h4*1-28H.

What are the key properties of 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene has a molecular weight of 2611.27 g/mol, XLogP of 57.66, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;18-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-15-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 158654028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).