14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C178H110O2S4 — CID 167707159

About 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 167707159) has the molecular formula C178H110O2S4 and a molecular weight of 2409.10 g/mol. Its IUPAC name is 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 167707159
• Molecular Formula: C178H110O2S4
• Molecular Weight: 2409.10 g/mol
• Exact Mass: 2406.74
• IUPAC Name: 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)Sc4ccccc4-5)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)Sc4ccccc4-5)c4ccccc34)cc21.c1ccc2c(c1)Sc1cccc3c(-c4c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)ccc-2c13.c1ccc2c(c1)Sc1cccc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)ccc-2c13
• InChI: InChI=1S/C46H26OS.2C45H30S.C42H24OS/c1-2-11-28-26-41-39(24-27(28)10-1)38-25-29(20-23-40(38)47-41)44-31-13-3-5-15-33(31)45(34-16-6-4-14-32(34)44)37-22-21-36-30-12-7-8-18-42(30)48-43-19-9-17-35(37)46(36)43;1-45(2)38-19-9-7-12-28(38)37-26-27(22-25-39(37)45)42-30-14-3-5-16-32(30)43(33-17-6-4-15-31(33)42)36-24-23-35-29-13-8-10-20-40(29)46-41-21-11-18-34(36)44(35)41;1-45(2)38-19-9-7-12-28(38)29-23-22-27(26-39(29)45)42-31-14-3-5-16-33(31)43(34-17-6-4-15-32(34)42)37-25-24-36-30-13-8-10-20-40(30)46-41-21-11-18-35(37)44(36)41;1-3-14-28-26(12-1)39(32-24-23-31-25-11-6-8-21-37(25)44-38-22-10-17-30(32)42(31)38)27-13-2-4-15-29(27)40(28)34-18-9-20-36-41(34)33-16-5-7-19-35(33)43-36/h1-26H;2*3-26H,1-2H3;1-24H
• InChIKey: ZGOMNQCRIXCFTI-UHFFFAOYSA-N
• XLogP: 52.01
• TPSA: 26.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2409.10
LogP ≤ 5	52.01
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 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 167707159) is 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)Sc4ccccc4-5)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)Sc4ccccc4-5)c4ccccc34)cc21.c1ccc2c(c1)Sc1cccc3c(-c4c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)ccc-2c13.c1ccc2c(c1)Sc1cccc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)ccc-2c13.

What is the InChIKey of 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is ZGOMNQCRIXCFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26OS.2C45H30S.C42H24OS/c1-2-11-28-26-41-39(24-27(28)10-1)38-25-29(20-23-40(38)47-41)44-31-13-3-5-15-33(31)45(34-16-6-4-14-32(34)44)37-22-21-36-30-12-7-8-18-42(30)48-43-19-9-17-35(37)46(36)43;1-45(2)38-19-9-7-12-28(38)37-26-27(22-25-39(37)45)42-30-14-3-5-16-32(30)43(33-17-6-4-15-31(33)42)36-24-23-35-29-13-8-10-20-40(29)46-41-21-11-18-34(36)44(35)41;1-45(2)38-19-9-7-12-28(38)29-23-22-27(26-39(29)45)42-31-14-3-5-16-33(31)43(34-17-6-4-15-32(34)42)37-25-24-36-30-13-8-10-20-40(30)46-41-21-11-18-35(37)44(36)41;1-3-14-28-26(12-1)39(32-24-23-31-25-11-6-8-21-37(25)44-38-22-10-17-30(32)42(31)38)27-13-2-4-15-29(27)40(28)34-18-9-20-36-41(34)33-16-5-7-19-35(33)43-36/h1-26H;2*3-26H,1-2H3;1-24H.

What are the key properties of 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 2409.10 g/mol, XLogP of 52.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167707159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).