1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran

C72H44O — CID 175617518

About 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran

1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran (PubChem CID 175617518) has the molecular formula C72H44O and a molecular weight of 925.14 g/mol. Its IUPAC name is 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
• PubChem CID: 175617518
• Molecular Formula: C72H44O
• Molecular Weight: 925.14 g/mol
• Exact Mass: 924.34
• IUPAC Name: 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4c(-c5cccc6cc(-c7c8ccccc8c(-c8cccc9c8oc8cccc(-c%10ccccc%10)c89)c8ccccc78)ccc56)cccc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C72H44O/c1-3-19-45(20-4-1)53-33-18-38-66-71(53)65-37-17-36-64(72(65)73-66)70-62-31-13-11-29-60(62)69(61-30-12-14-32-63(61)70)50-40-42-52-48(44-50)24-16-35-55(52)54-34-15-23-47-43-49(39-41-51(47)54)68-58-27-9-7-25-56(58)67(46-21-5-2-6-22-46)57-26-8-10-28-59(57)68/h1-44H
• InChIKey: LEVIUQPQEMNMHX-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.14
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The IUPAC name of 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran (CID 175617518) is 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The canonical SMILES for 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4c(-c5cccc6cc(-c7c8ccccc8c(-c8cccc9c8oc8cccc(-c%10ccccc%10)c89)c8ccccc78)ccc56)cccc4c3)c3ccccc23)cc1.

What is the InChIKey of 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The InChIKey is LEVIUQPQEMNMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44O/c1-3-19-45(20-4-1)53-33-18-38-66-71(53)65-37-17-36-64(72(65)73-66)70-62-31-13-11-29-60(62)69(61-30-12-14-32-63(61)70)50-40-42-52-48(44-50)24-16-35-55(52)54-34-15-23-47-43-49(39-41-51(47)54)68-58-27-9-7-25-56(58)67(46-21-5-2-6-22-46)57-26-8-10-28-59(57)68/h1-44H.

What are the key properties of 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 925.14 g/mol, XLogP of 20.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 175617518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).