9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine

C56H42N2 — CID 89061203

About 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine

9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine (PubChem CID 89061203) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
• PubChem CID: 89061203
• Molecular Formula: C56H42N2
• Molecular Weight: 742.97 g/mol
• Exact Mass: 742.33
• IUPAC Name: 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
• SMILES: Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)c1
• InChI: InChI=1S/C56H42N2/c1-39-33-40(2)35-44(34-39)56-52-32-30-50(58(47-25-13-6-14-26-47)48-28-27-41-17-15-16-20-43(41)36-48)38-53(52)55(42-18-7-3-8-19-42)51-31-29-49(37-54(51)56)57(45-21-9-4-10-22-45)46-23-11-5-12-24-46/h3-38H,1-2H3
• InChIKey: DKXHLBYZTUEBBQ-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.97
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine?

The IUPAC name of 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine (CID 89061203) is 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine.

What is the SMILES notation for 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine?

The canonical SMILES for 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine is Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)c1.

What is the InChIKey of 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine?

The InChIKey is DKXHLBYZTUEBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-39-33-40(2)35-44(34-39)56-52-32-30-50(58(47-25-13-6-14-26-47)48-28-27-41-17-15-16-20-43(41)36-48)38-53(52)55(42-18-7-3-8-19-42)51-31-29-49(37-54(51)56)57(45-21-9-4-10-22-45)46-23-11-5-12-24-46/h3-38H,1-2H3.

What are the key properties of 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine?

9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine has a molecular weight of 742.97 g/mol, XLogP of 16.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine is sourced from PubChem (CID 89061203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).