9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine

C59H42N2 — CID 59766271

About 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine

9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine (PubChem CID 59766271) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
• PubChem CID: 59766271
• Molecular Formula: C59H42N2
• Molecular Weight: 779.00 g/mol
• Exact Mass: 778.33
• IUPAC Name: 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
• SMILES: Cc1ccc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc23)cc1
• InChI: InChI=1S/C59H42N2/c1-41-25-27-45(28-26-41)59-55-36-34-52(60(48-21-7-3-8-22-48)50-31-29-42-15-11-13-19-46(42)37-50)39-56(55)58(44-17-5-2-6-18-44)54-35-33-53(40-57(54)59)61(49-23-9-4-10-24-49)51-32-30-43-16-12-14-20-47(43)38-51/h2-40H,1H3
• InChIKey: VEFRROXYYHMJFB-UHFFFAOYSA-N
• XLogP: 16.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.00
LogP ≤ 5	16.88
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-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

The IUPAC name of 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine (CID 59766271) is 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine.

What is the SMILES notation for 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

The canonical SMILES for 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine is Cc1ccc(-c2c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc23)cc1.

What is the InChIKey of 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

The InChIKey is VEFRROXYYHMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-41-25-27-45(28-26-41)59-55-36-34-52(60(48-21-7-3-8-22-48)50-31-29-42-15-11-13-19-46(42)37-50)39-56(55)58(44-17-5-2-6-18-44)54-35-33-53(40-57(54)59)61(49-23-9-4-10-24-49)51-32-30-43-16-12-14-20-47(43)38-51/h2-40H,1H3.

What are the key properties of 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?

9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine has a molecular weight of 779.00 g/mol, XLogP of 16.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine is sourced from PubChem (CID 59766271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).