2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C92H52O2S — CID 175611464

About 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 175611464) has the molecular formula C92H52O2S and a molecular weight of 1221.49 g/mol. Its IUPAC name is 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 175611464
• Molecular Formula: C92H52O2S
• Molecular Weight: 1221.49 g/mol
• Exact Mass: 1220.37
• IUPAC Name: 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc5oc6c7cc(-c8cccc9c8sc8ccc(-c%10c%11ccccc%11c(-c%11ccc%12oc%13c%14ccccc%14ccc%13c%12c%11)c%11ccccc%10%11)cc89)ccc7ccc6c5c4)c4ccccc34)cc1)c1ccccc12
• InChI: InChI=1S/C92H52O2S/c1-4-19-63-53(16-1)38-43-75-80-50-59(40-45-83(80)93-90(63)75)88-71-26-11-13-28-73(71)89(74-29-14-12-27-72(74)88)61-42-47-85-82(52-61)77-31-15-30-64(92(77)95-85)58-37-34-55-39-44-76-81-51-60(41-46-84(81)94-91(76)79(55)49-58)87-69-24-9-7-22-67(69)86(68-23-8-10-25-70(68)87)56-35-32-54(33-36-56)78-48-57-17-2-3-18-62(57)65-20-5-6-21-66(65)78/h1-52H
• InChIKey: BPAYYMKTXKLTFL-UHFFFAOYSA-N
• XLogP: 27.08
• TPSA: 26.28 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.49
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 175611464) is 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc2c(c1)cc(-c1ccc(-c3c4ccccc4c(-c4ccc5oc6c7cc(-c8cccc9c8sc8ccc(-c%10c%11ccccc%11c(-c%11ccc%12oc%13c%14ccccc%14ccc%13c%12c%11)c%11ccccc%10%11)cc89)ccc7ccc6c5c4)c4ccccc34)cc1)c1ccccc12.

What is the InChIKey of 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is BPAYYMKTXKLTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H52O2S/c1-4-19-63-53(16-1)38-43-75-80-50-59(40-45-83(80)93-90(63)75)88-71-26-11-13-28-73(71)89(74-29-14-12-27-72(74)88)61-42-47-85-82(52-61)77-31-15-30-64(92(77)95-85)58-37-34-55-39-44-76-81-51-60(41-46-84(81)94-91(76)79(55)49-58)87-69-24-9-7-22-67(69)86(68-23-8-10-25-70(68)87)56-35-32-54(33-36-56)78-48-57-17-2-3-18-62(57)65-20-5-6-21-66(65)78/h1-52H.

What are the key properties of 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 1221.49 g/mol, XLogP of 27.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 175611464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).