2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran

C62H38O — CID 171447388

About 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran

2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran (PubChem CID 171447388) has the molecular formula C62H38O and a molecular weight of 798.99 g/mol. Its IUPAC name is 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran
• PubChem CID: 171447388
• Molecular Formula: C62H38O
• Molecular Weight: 798.99 g/mol
• Exact Mass: 798.29
• IUPAC Name: 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran
• SMILES: c1ccc(-c2ccc3c(c2)oc2ccc(-c4ccccc4)c(-c4c5ccccc5c(-c5c(-c6ccccc6)ccc6c7ccccc7c7ccccc7c56)c5ccccc45)c23)cc1
• InChI: InChI=1S/C62H38O/c1-4-18-39(19-5-1)42-32-33-54-56(38-42)63-55-37-36-44(41-22-8-3-9-23-41)62(60(54)55)59-51-30-16-14-28-49(51)58(50-29-15-17-31-52(50)59)61-43(40-20-6-2-7-21-40)34-35-53-47-26-11-10-24-45(47)46-25-12-13-27-48(46)57(53)61/h1-38H
• InChIKey: KLOLCJLVDVOFPZ-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.99
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran?

The IUPAC name of 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran (CID 171447388) is 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran?

The canonical SMILES for 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc3c(c2)oc2ccc(-c4ccccc4)c(-c4c5ccccc5c(-c5c(-c6ccccc6)ccc6c7ccccc7c7ccccc7c56)c5ccccc45)c23)cc1.

What is the InChIKey of 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran?

The InChIKey is KLOLCJLVDVOFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38O/c1-4-18-39(19-5-1)42-32-33-54-56(38-42)63-55-37-36-44(41-22-8-3-9-23-41)62(60(54)55)59-51-30-16-14-28-49(51)58(50-29-15-17-31-52(50)59)61-43(40-20-6-2-7-21-40)34-35-53-47-26-11-10-24-45(47)46-25-12-13-27-48(46)57(53)61/h1-38H.

What are the key properties of 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran?

2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 798.99 g/mol, XLogP of 17.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 171447388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).