9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine

C50H44N2 — CID 59133348

About 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine (PubChem CID 59133348) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine.

Molecular Properties

• Compound Name: 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine
• PubChem CID: 59133348
• Molecular Formula: C50H44N2
• Molecular Weight: 672.92 g/mol
• Exact Mass: 672.35
• IUPAC Name: 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C(C)c4ccccc4)ccc23)cc1
• InChI: InChI=1S/C50H44N2/c1-34-15-24-41(25-16-34)51(42-26-17-35(2)18-27-42)49-45-13-9-10-14-46(45)50(48-33-40(23-32-47(48)49)38(5)39-11-7-6-8-12-39)52(43-28-19-36(3)20-29-43)44-30-21-37(4)22-31-44/h6-33,38H,1-5H3
• InChIKey: HWAMWIAFYDBMBK-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.92
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine?

The IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine (CID 59133348) is 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine.

What is the SMILES notation for 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine?

The canonical SMILES for 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine is Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C(C)c4ccccc4)ccc23)cc1.

What is the InChIKey of 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine?

The InChIKey is HWAMWIAFYDBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-34-15-24-41(25-16-34)51(42-26-17-35(2)18-27-42)49-45-13-9-10-14-46(45)50(48-33-40(23-32-47(48)49)38(5)39-11-7-6-8-12-39)52(43-28-19-36(3)20-29-43)44-30-21-37(4)22-31-44/h6-33,38H,1-5H3.

What are the key properties of 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine?

9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine has a molecular weight of 672.92 g/mol, XLogP of 14.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine is sourced from PubChem (CID 59133348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).