9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine

C72H50N2 — CID 59766227

About 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine

9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine (PubChem CID 59766227) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
• PubChem CID: 59766227
• Molecular Formula: C72H50N2
• Molecular Weight: 943.21 g/mol
• Exact Mass: 942.40
• IUPAC Name: 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
• SMILES: c1ccc(-c2cccc(-c3c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc34)c2)cc1
• InChI: InChI=1S/C72H50N2/c1-6-21-51(22-7-1)56-29-18-32-59(45-56)71-67-43-41-66(74(62-35-14-5-15-36-62)64-38-20-31-58(48-64)53-25-10-3-11-26-53)50-70(67)72(60-40-39-54-27-16-17-28-55(54)46-60)68-44-42-65(49-69(68)71)73(61-33-12-4-13-34-61)63-37-19-30-57(47-63)52-23-8-2-9-24-52/h1-50H
• InChIKey: NXJTWWFLENBMTE-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.21
LogP ≤ 5	20.42
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-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine?

The IUPAC name of 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine (CID 59766227) is 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2cccc(-c3c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc34)c2)cc1.

What is the InChIKey of 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine?

The InChIKey is NXJTWWFLENBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-6-21-51(22-7-1)56-29-18-32-59(45-56)71-67-43-41-66(74(62-35-14-5-15-36-62)64-38-20-31-58(48-64)53-25-10-3-11-26-53)50-70(67)72(60-40-39-54-27-16-17-28-55(54)46-60)68-44-42-65(49-69(68)71)73(61-33-12-4-13-34-61)63-37-19-30-57(47-63)52-23-8-2-9-24-52/h1-50H.

What are the key properties of 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine?

9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 943.21 g/mol, XLogP of 20.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 59766227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).