4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine

C56H39N — CID 168837065

About 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine

4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine (PubChem CID 168837065) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine
• PubChem CID: 168837065
• Molecular Formula: C56H39N
• Molecular Weight: 725.94 g/mol
• Exact Mass: 725.31
• IUPAC Name: 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine
• SMILES: Cc1ccc(N(c2ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3c2)c2ccc(C)c3ccccc23)c2ccccc12
• InChI: InChI=1S/C56H39N/c1-36-23-31-53(47-17-7-5-15-45(36)47)57(54-32-24-37(2)46-16-6-8-18-48(46)54)44-30-29-40-34-43(28-26-41(40)35-44)56-51-21-11-9-19-49(51)55(50-20-10-12-22-52(50)56)42-27-25-38-13-3-4-14-39(38)33-42/h3-35H,1-2H3
• InChIKey: ULIBXMBUJLPPKH-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.94
LogP ≤ 5	16.03
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 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine?

The IUPAC name of 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine (CID 168837065) is 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine.

What is the SMILES notation for 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine?

The canonical SMILES for 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine is Cc1ccc(N(c2ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3c2)c2ccc(C)c3ccccc23)c2ccccc12.

What is the InChIKey of 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine?

The InChIKey is ULIBXMBUJLPPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-36-23-31-53(47-17-7-5-15-45(36)47)57(54-32-24-37(2)46-16-6-8-18-48(46)54)44-30-29-40-34-43(28-26-41(40)35-44)56-51-21-11-9-19-49(51)55(50-20-10-12-22-52(50)56)42-27-25-38-13-3-4-14-39(38)33-42/h3-35H,1-2H3.

What are the key properties of 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine?

4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine has a molecular weight of 725.94 g/mol, XLogP of 16.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine is sourced from PubChem (CID 168837065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).