2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

C58H44N2 — CID 59766189

About 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 59766189) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
• PubChem CID: 59766189
• Molecular Formula: C58H44N2
• Molecular Weight: 769.00 g/mol
• Exact Mass: 768.35
• IUPAC Name: 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C58H44N2/c1-41-23-31-49(32-24-41)59(47-19-11-5-12-20-47)51-36-38-54-55(39-51)57(45-17-9-4-10-18-45)53-37-35-52(60(48-21-13-6-14-22-48)50-33-25-42(2)26-34-50)40-56(53)58(54)46-29-27-44(28-30-46)43-15-7-3-8-16-43/h3-40H,1-2H3
• InChIKey: JQZDAMPXKXINBK-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.00
LogP ≤ 5	16.55
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 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

The IUPAC name of 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (CID 59766189) is 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is Cc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

The InChIKey is JQZDAMPXKXINBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-41-23-31-49(32-24-41)59(47-19-11-5-12-20-47)51-36-38-54-55(39-51)57(45-17-9-4-10-18-45)53-37-35-52(60(48-21-13-6-14-22-48)50-33-25-42(2)26-34-50)40-56(53)58(54)46-29-27-44(28-30-46)43-15-7-3-8-16-43/h3-40H,1-2H3.

What are the key properties of 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?

2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 769.00 g/mol, XLogP of 16.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 59766189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).