2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine

C70H44N2O2 — CID 89254464

About 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine

2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine (PubChem CID 89254464) has the molecular formula C70H44N2O2 and a molecular weight of 945.13 g/mol. Its IUPAC name is 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
• PubChem CID: 89254464
• Molecular Formula: C70H44N2O2
• Molecular Weight: 945.13 g/mol
• Exact Mass: 944.34
• IUPAC Name: 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
• SMILES: c1ccc(-c2c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc3c(-c3ccccc3)c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc23)cc1
• InChI: InChI=1S/C70H44N2O2/c1-3-21-47(22-4-1)67-55-41-39-50(72(62-34-16-26-46-20-8-10-28-52(46)62)64-36-18-32-58-54-30-12-14-38-66(54)74-70(58)64)44-60(55)68(48-23-5-2-6-24-48)56-42-40-49(43-59(56)67)71(61-33-15-25-45-19-7-9-27-51(45)61)63-35-17-31-57-53-29-11-13-37-65(53)73-69(57)63/h1-44H
• InChIKey: QYESTBSNDIJZTO-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.13
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine?

The IUPAC name of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine (CID 89254464) is 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine is c1ccc(-c2c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc3c(-c3ccccc3)c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4ccccc45)cc23)cc1.

What is the InChIKey of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine?

The InChIKey is QYESTBSNDIJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2/c1-3-21-47(22-4-1)67-55-41-39-50(72(62-34-16-26-46-20-8-10-28-52(46)62)64-36-18-32-58-54-30-12-14-38-66(54)74-70(58)64)44-60(55)68(48-23-5-2-6-24-48)56-42-40-49(43-59(56)67)71(61-33-15-25-45-19-7-9-27-51(45)61)63-35-17-31-57-53-29-11-13-37-65(53)73-69(57)63/h1-44H.

What are the key properties of 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine?

2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine has a molecular weight of 945.13 g/mol, XLogP of 20.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89254464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).