9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine

C46H32N2 — CID 20665521

About 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine

9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine (PubChem CID 20665521) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine.

Molecular Properties

• Compound Name: 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
• PubChem CID: 20665521
• Molecular Formula: C46H32N2
• Molecular Weight: 612.78 g/mol
• Exact Mass: 612.26
• IUPAC Name: 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
• SMILES: c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cccc4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C46H32N2/c1-3-21-35(22-4-1)47(43-31-15-19-33-17-7-9-25-37(33)43)45-39-27-11-13-29-41(39)46(42-30-14-12-28-40(42)45)48(36-23-5-2-6-24-36)44-32-16-20-34-18-8-10-26-38(34)44/h1-32H
• InChIKey: DGQKZZFDEKFFFI-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.78
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine?

The IUPAC name of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine (CID 20665521) is 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine.

What is the SMILES notation for 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine?

The canonical SMILES for 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine is c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(N(c3ccccc3)c3cccc4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine?

The InChIKey is DGQKZZFDEKFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-21-35(22-4-1)47(43-31-15-19-33-17-7-9-25-37(33)43)45-39-27-11-13-29-41(39)46(42-30-14-12-28-40(42)45)48(36-23-5-2-6-24-36)44-32-16-20-34-18-8-10-26-38(34)44/h1-32H.

What are the key properties of 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine?

9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine has a molecular weight of 612.78 g/mol, XLogP of 13.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 20665521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).