5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C157H97FS4 — CID 167606732

About 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 167606732) has the molecular formula C157H97FS4 and a molecular weight of 2130.77 g/mol. Its IUPAC name is 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• PubChem CID: 167606732
• Molecular Formula: C157H97FS4
• Molecular Weight: 2130.77 g/mol
• Exact Mass: 2128.65
• IUPAC Name: 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Sc3cccc5cccc-4c35)c3ccccc23)cc1.Fc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Sc3cccc5cccc-4c35)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)Sc4cccc6cccc-5c46)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4c(c3)Sc3cccc5cccc-4c35)c3ccccc23)cc1
• InChI: InChI=1S/2C42H26S.C37H24S.C36H21FS/c1-2-11-27(12-3-1)40-34-17-4-6-19-36(34)41(37-20-7-5-18-35(37)40)31-16-8-15-29(25-31)30-23-24-32-33-21-9-13-28-14-10-22-38(42(28)33)43-39(32)26-30;1-2-12-27(13-3-1)40-34-18-6-8-20-36(34)42(37-21-9-7-19-35(37)40)32-17-5-4-16-30(32)29-24-25-31-33-22-10-14-28-15-11-23-38(41(28)33)43-39(31)26-29;1-23-16-18-25(19-17-23)35-29-10-2-4-12-31(29)36(32-13-5-3-11-30(32)35)26-20-21-27-28-14-6-8-24-9-7-15-33(37(24)28)38-34(27)22-26;37-25-18-15-23(16-19-25)34-28-9-1-3-11-30(28)35(31-12-4-2-10-29(31)34)24-17-20-26-27-13-5-7-22-8-6-14-32(36(22)27)38-33(26)21-24/h2*1-26H;2-22H,1H3;1-21H
• InChIKey: KMGLPGLTDCPLDJ-UHFFFAOYSA-N
• XLogP: 46.23
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2130.77
LogP ≤ 5	46.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The IUPAC name of 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 167606732) is 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

What is the SMILES notation for 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The canonical SMILES for 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Sc3cccc5cccc-4c35)c3ccccc23)cc1.Fc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Sc3cccc5cccc-4c35)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5c(c4)Sc4cccc6cccc-5c46)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4c(c3)Sc3cccc5cccc-4c35)c3ccccc23)cc1.

What is the InChIKey of 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The InChIKey is KMGLPGLTDCPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26S.C37H24S.C36H21FS/c1-2-11-27(12-3-1)40-34-17-4-6-19-36(34)41(37-20-7-5-18-35(37)40)31-16-8-15-29(25-31)30-23-24-32-33-21-9-13-28-14-10-22-38(42(28)33)43-39(32)26-30;1-2-12-27(13-3-1)40-34-18-6-8-20-36(34)42(37-21-9-7-19-35(37)40)32-17-5-4-16-30(32)29-24-25-31-33-22-10-14-28-15-11-23-38(41(28)33)43-39(31)26-29;1-23-16-18-25(19-17-23)35-29-10-2-4-12-31(29)36(32-13-5-3-11-30(32)35)26-20-21-27-28-14-6-8-24-9-7-15-33(37(24)28)38-34(27)22-26;37-25-18-15-23(16-19-25)34-28-9-1-3-11-30(28)35(31-12-4-2-10-29(31)34)24-17-20-26-27-13-5-7-22-8-6-14-32(36(22)27)38-33(26)21-24/h2*1-26H;2-22H,1H3;1-21H.

What are the key properties of 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 2130.77 g/mol, XLogP of 46.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[10-(4-methylphenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;5-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 167606732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).