N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine

C52H44N2 — CID 91237868

About N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine

N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine (PubChem CID 91237868) has the molecular formula C52H44N2 and a molecular weight of 696.94 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
• PubChem CID: 91237868
• Molecular Formula: C52H44N2
• Molecular Weight: 696.94 g/mol
• Exact Mass: 696.35
• IUPAC Name: N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2cccc3cc4ccccc4cc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C28H23N.C24H21N/c1-20-10-14-25(15-11-20)29(26-16-12-21(2)13-17-26)28-9-5-8-24-18-22-6-3-4-7-23(22)19-27(24)28;1-18-10-14-21(15-11-18)25(22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-19H,1-2H3;3-17H,1-2H3
• InChIKey: QWADJRCNYYJAHL-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.94
LogP ≤ 5	15.01
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 N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine?

The IUPAC name of N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine (CID 91237868) is N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine.

What is the SMILES notation for N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine?

The canonical SMILES for N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine is Cc1ccc(N(c2ccc(C)cc2)c2cccc3cc4ccccc4cc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine?

The InChIKey is QWADJRCNYYJAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N.C24H21N/c1-20-10-14-25(15-11-20)29(26-16-12-21(2)13-17-26)28-9-5-8-24-18-22-6-3-4-7-23(22)19-27(24)28;1-18-10-14-21(15-11-18)25(22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-19H,1-2H3;3-17H,1-2H3.

What are the key properties of N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine?

N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine has a molecular weight of 696.94 g/mol, XLogP of 15.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 91237868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).