9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

C60H42N2 — CID 58895480

About 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 58895480) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
• PubChem CID: 58895480
• Molecular Formula: C60H42N2
• Molecular Weight: 791.01 g/mol
• Exact Mass: 790.33
• IUPAC Name: 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
• SMILES: c1ccc(-c2ccc(-c3c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccccc5)ccc34)cc2)cc1
• InChI: InChI=1S/C60H42N2/c1-6-19-43(20-7-1)44-33-35-46(36-34-44)59-55-39-37-52(62(49-27-12-4-13-28-49)50-29-14-5-15-30-50)42-58(55)60(54-32-18-22-45-21-16-17-31-53(45)54)56-40-38-51(41-57(56)59)61(47-23-8-2-9-24-47)48-25-10-3-11-26-48/h1-42H
• InChIKey: RHEJSLHTQDEFRW-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.01
LogP ≤ 5	17.09
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-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

The IUPAC name of 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (CID 58895480) is 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccc(-c3c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccccc5)ccc34)cc2)cc1.

What is the InChIKey of 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

The InChIKey is RHEJSLHTQDEFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-6-19-43(20-7-1)44-33-35-46(36-34-44)59-55-39-37-52(62(49-27-12-4-13-28-49)50-29-14-5-15-30-50)42-58(55)60(54-32-18-22-45-21-16-17-31-53(45)54)56-40-38-51(41-57(56)59)61(47-23-8-2-9-24-47)48-25-10-3-11-26-48/h1-42H.

What are the key properties of 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 791.01 g/mol, XLogP of 17.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 58895480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).