9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine

C78H54N2 — CID 90194162

About 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine

9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 90194162) has the molecular formula C78H54N2 and a molecular weight of 1019.30 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
• PubChem CID: 90194162
• Molecular Formula: C78H54N2
• Molecular Weight: 1019.30 g/mol
• Exact Mass: 1018.43
• IUPAC Name: 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1
• InChI: InChI=1S/C78H54N2/c1-6-18-55(19-7-1)60-32-40-67(41-33-60)79(68-42-34-61(35-43-68)56-20-8-2-9-21-56)71-49-51-74-75(53-71)77(64-27-14-5-15-28-64)73-50-48-72(54-76(73)78(74)66-31-30-59-26-16-17-29-65(59)52-66)80(69-44-36-62(37-45-69)57-22-10-3-11-23-57)70-46-38-63(39-47-70)58-24-12-4-13-25-58/h1-54H
• InChIKey: LDAKHBWVGPKILE-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.30
LogP ≤ 5	22.09
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-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

The IUPAC name of 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine (CID 90194162) is 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccccc5)c4c3)cc2)cc1.

What is the InChIKey of 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

The InChIKey is LDAKHBWVGPKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2/c1-6-18-55(19-7-1)60-32-40-67(41-33-60)79(68-42-34-61(35-43-68)56-20-8-2-9-21-56)71-49-51-74-75(53-71)77(64-27-14-5-15-28-64)73-50-48-72(54-76(73)78(74)66-31-30-59-26-16-17-29-65(59)52-66)80(69-44-36-62(37-45-69)57-22-10-3-11-23-57)70-46-38-63(39-47-70)58-24-12-4-13-25-58/h1-54H.

What are the key properties of 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine?

9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 1019.30 g/mol, XLogP of 22.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 90194162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).