N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine

C52H36N2 — CID 143540583

About N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine

N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine (PubChem CID 143540583) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine
• PubChem CID: 143540583
• Molecular Formula: C52H36N2
• Molecular Weight: 688.87 g/mol
• Exact Mass: 688.29
• IUPAC Name: N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine
• SMILES: c1ccc(Nc2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5)c5ccccc45)ccc3c2)cc1
• InChI: InChI=1S/C52H36N2/c1-4-14-42(15-5-1)53-43-30-28-36-32-40(26-24-38(36)34-43)51-47-20-10-12-22-49(47)52(50-23-13-11-21-48(50)51)41-27-25-39-35-46(31-29-37(39)33-41)54(44-16-6-2-7-17-44)45-18-8-3-9-19-45/h1-35,53H
• InChIKey: OHQHEPYAQBMOFU-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.87
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	1
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-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine?

The IUPAC name of N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine (CID 143540583) is N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine.

What is the SMILES notation for N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine?

The canonical SMILES for N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine is c1ccc(Nc2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5)c5ccccc45)ccc3c2)cc1.

What is the InChIKey of N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine?

The InChIKey is OHQHEPYAQBMOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-14-42(15-5-1)53-43-30-28-36-32-40(26-24-38(36)34-43)51-47-20-10-12-22-49(47)52(50-23-13-11-21-48(50)51)41-27-25-39-35-46(31-29-37(39)33-41)54(44-16-6-2-7-17-44)45-18-8-3-9-19-45/h1-35,53H.

What are the key properties of N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine?

N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine has a molecular weight of 688.87 g/mol, XLogP of 14.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine is sourced from PubChem (CID 143540583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).