8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

C100H58O2 — CID 167077211

About 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran

8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 167077211) has the molecular formula C100H58O2 and a molecular weight of 1291.56 g/mol. Its IUPAC name is 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 167077211
• Molecular Formula: C100H58O2
• Molecular Weight: 1291.56 g/mol
• Exact Mass: 1290.44
• IUPAC Name: 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
• SMILES: c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc(-c2cccc3oc4cc5cc(-c6ccc7cc(-c8c9ccccc9c(-c9ccc(-c%10cccc%11oc%12cc%13ccccc%13cc%12c%10%11)cc9)c9ccccc89)c8ccccc8c7c6)ccc5cc4c23)c1
• InChI: InChI=1S/C100H58O2/c1-2-21-62-57-93-89(53-61(62)20-1)99-72(38-18-40-91(99)101-93)59-42-44-60(45-43-59)95-78-30-9-13-34-82(78)97(83-35-14-10-31-79(83)95)88-56-68-49-48-64(52-86(68)75-27-6-8-29-77(75)88)63-46-47-65-54-90-94(58-70(65)50-63)102-92-41-19-39-73(100(90)92)66-23-17-24-69(51-66)96-80-32-11-15-36-84(80)98(85-37-16-12-33-81(85)96)87-55-67-22-3-4-25-71(67)74-26-5-7-28-76(74)87/h1-58H
• InChIKey: HNBVBBVJEKUERR-UHFFFAOYSA-N
• XLogP: 28.69
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1291.56
LogP ≤ 5	28.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 167077211) is 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc(-c2cccc3oc4cc5cc(-c6ccc7cc(-c8c9ccccc9c(-c9ccc(-c%10cccc%11oc%12cc%13ccccc%13cc%12c%10%11)cc9)c9ccccc89)c8ccccc8c7c6)ccc5cc4c23)c1.

What is the InChIKey of 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?

The InChIKey is HNBVBBVJEKUERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H58O2/c1-2-21-62-57-93-89(53-61(62)20-1)99-72(38-18-40-91(99)101-93)59-42-44-60(45-43-59)95-78-30-9-13-34-82(78)97(83-35-14-10-31-79(83)95)88-56-68-49-48-64(52-86(68)75-27-6-8-29-77(75)88)63-46-47-65-54-90-94(58-70(65)50-63)102-92-41-19-39-73(100(90)92)66-23-17-24-69(51-66)96-80-32-11-15-36-84(80)98(85-37-16-12-33-81(85)96)87-55-67-22-3-4-25-71(67)74-26-5-7-28-76(74)87/h1-58H.

What are the key properties of 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran?

8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1291.56 g/mol, XLogP of 28.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167077211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).