3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C252H156S6 — CID 167635944

About 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 167635944) has the molecular formula C252H156S6 and a molecular weight of 3376.42 g/mol. Its IUPAC name is 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 167635944
• Molecular Formula: C252H156S6
• Molecular Weight: 3376.42 g/mol
• Exact Mass: 3373.05
• IUPAC Name: 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5c6c(cccc6c4)Sc4ccccc4-5)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cccc6c5c4-c4ccccc4S6)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cccc6c5c4Sc4ccccc4-6)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4-c4cccc6cccc(c46)S5)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3S4)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4cccc5c4c3Sc3ccccc3-5)c3ccccc23)cc1
• InChI: InChI=1S/6C42H26S/c1-2-12-27(13-3-1)29-16-8-17-30(26-29)39-31-18-4-6-20-33(31)41(34-21-7-5-19-32(34)39)36-23-11-25-38-42(36)35-22-9-14-28-15-10-24-37(43-38)40(28)35;1-2-12-27(13-3-1)29-15-10-16-30(26-29)39-33-18-4-6-20-35(33)41(36-21-7-5-19-34(36)39)37-25-24-28-14-11-22-32-31-17-8-9-23-38(31)43-42(37)40(28)32;1-2-12-27(13-3-1)29-15-10-16-30(26-29)39-31-17-4-6-19-33(31)41(34-20-7-5-18-32(34)39)36-25-24-28-14-11-23-38-40(28)42(36)35-21-8-9-22-37(35)43-38;1-2-12-27(13-3-1)28-14-10-15-29(24-28)40-33-18-4-6-20-35(33)41(36-21-7-5-19-34(36)40)31-25-30-16-11-23-39-42(30)37(26-31)32-17-8-9-22-38(32)43-39;1-2-13-27(14-3-1)30-16-4-5-18-32(30)42-36-21-8-6-19-34(36)40(35-20-7-9-22-37(35)42)29-25-28-15-12-23-33-31-17-10-11-24-38(31)43-39(26-29)41(28)33;1-2-13-27(14-3-1)29-16-4-5-18-31(29)40-33-19-6-8-21-35(33)41(36-22-9-7-20-34(36)40)37-26-25-28-15-12-23-32-30-17-10-11-24-38(30)43-42(37)39(28)32/h6*1-26H
• InChIKey: OLZSETJJUDSZBF-UHFFFAOYSA-N
• XLogP: 73.67
• TPSA: 0.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3376.42
LogP ≤ 5	73.67
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 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 167635944) is 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5c6c(cccc6c4)Sc4ccccc4-5)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cccc6c5c4-c4ccccc4S6)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cccc6c5c4Sc4ccccc4-6)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4-c4cccc6cccc(c46)S5)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3S4)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4cccc5c4c3Sc3ccccc3-5)c3ccccc23)cc1.

What is the InChIKey of 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is OLZSETJJUDSZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C42H26S/c1-2-12-27(13-3-1)29-16-8-17-30(26-29)39-31-18-4-6-20-33(31)41(34-21-7-5-19-32(34)39)36-23-11-25-38-42(36)35-22-9-14-28-15-10-24-37(43-38)40(28)35;1-2-12-27(13-3-1)29-15-10-16-30(26-29)39-33-18-4-6-20-35(33)41(36-21-7-5-19-34(36)39)37-25-24-28-14-11-22-32-31-17-8-9-23-38(31)43-42(37)40(28)32;1-2-12-27(13-3-1)29-15-10-16-30(26-29)39-31-17-4-6-19-33(31)41(34-20-7-5-18-32(34)39)36-25-24-28-14-11-23-38-40(28)42(36)35-21-8-9-22-37(35)43-38;1-2-12-27(13-3-1)28-14-10-15-29(24-28)40-33-18-4-6-20-35(33)41(36-21-7-5-19-34(36)40)31-25-30-16-11-23-39-42(30)37(26-31)32-17-8-9-22-38(32)43-39;1-2-13-27(14-3-1)30-16-4-5-18-32(30)42-36-21-8-6-19-34(36)40(35-20-7-9-22-37(35)42)29-25-28-15-12-23-33-31-17-10-11-24-38(31)43-39(26-29)41(28)33;1-2-13-27(14-3-1)29-16-4-5-18-31(29)40-33-19-6-8-21-35(33)41(36-22-9-7-20-34(36)40)37-26-25-28-15-12-23-32-30-17-10-11-24-38(30)43-42(37)39(28)32/h6*1-26H.

What are the key properties of 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 3376.42 g/mol, XLogP of 73.67, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;10-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;15-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;16-[10-(3-phenylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 167635944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).