11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C144H84O3S3 — CID 157456194

About 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 157456194) has the molecular formula C144H84O3S3 and a molecular weight of 1958.45 g/mol. Its IUPAC name is 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 157456194
• Molecular Formula: C144H84O3S3
• Molecular Weight: 1958.45 g/mol
• Exact Mass: 1956.56
• IUPAC Name: 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5oc6c7ccccc7ccc6c5cc5c4sc4ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c6cc7ccccc7cc6sc5c5oc6ccccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5sc6ccccc6c5c5c4oc4ccc6ccccc6c45)c4ccccc34)cc2)cc1
• InChI: InChI=1S/3C48H28OS/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)45-47-40(28-41-34-16-10-11-21-42(34)50-48(41)45)39-27-26-31-14-4-5-15-33(31)46(39)49-47;1-2-12-29(13-3-1)30-22-24-31(25-23-30)44-34-16-6-8-18-36(34)45(37-19-9-7-17-35(37)44)41-28-40-39-26-32-14-4-5-15-33(32)27-43(39)50-48(40)47-46(41)38-20-10-11-21-42(38)49-47;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)39-28-42-46(38-20-10-11-21-41(38)50-42)47-45-33-15-5-4-14-31(33)26-27-40(45)49-48(39)47/h3*1-28H
• InChIKey: BTJQPNOSKHZTMT-UHFFFAOYSA-N
• XLogP: 43.24
• TPSA: 39.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1958.45
LogP ≤ 5	43.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 157456194) is 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5oc6c7ccccc7ccc6c5cc5c4sc4ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c6cc7ccccc7cc6sc5c5oc6ccccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5sc6ccccc6c5c5c4oc4ccc6ccccc6c45)c4ccccc34)cc2)cc1.

What is the InChIKey of 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is BTJQPNOSKHZTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H28OS/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)45-47-40(28-41-34-16-10-11-21-42(34)50-48(41)45)39-27-26-31-14-4-5-15-33(31)46(39)49-47;1-2-12-29(13-3-1)30-22-24-31(25-23-30)44-34-16-6-8-18-36(34)45(37-19-9-7-17-35(37)44)41-28-40-39-26-32-14-4-5-15-33(32)27-43(39)50-48(40)47-46(41)38-20-10-11-21-42(38)49-47;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)39-28-42-46(38-20-10-11-21-41(38)50-42)47-45-33-15-5-4-14-31(33)26-27-40(45)49-48(39)47/h3*1-28H.

What are the key properties of 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 1958.45 g/mol, XLogP of 43.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[10-(4-phenylphenyl)anthracen-9-yl]-3-oxa-24-thiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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;14-[10-(4-phenylphenyl)anthracen-9-yl]-12-oxa-16-thiahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 157456194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).