2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine

C52H48N2Si2 — CID 58855159

About 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine

2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine (PubChem CID 58855159) has the molecular formula C52H48N2Si2 and a molecular weight of 757.14 g/mol. Its IUPAC name is 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine
• PubChem CID: 58855159
• Molecular Formula: C52H48N2Si2
• Molecular Weight: 757.14 g/mol
• Exact Mass: 756.34
• IUPAC Name: 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccc3cc4cc(N(c5ccc([Si](C)(C)C)cc5)c5cccc6ccccc56)ccc4cc3c2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C52H48N2Si2/c1-55(2,3)47-29-25-43(26-30-47)53(51-19-11-15-37-13-7-9-17-49(37)51)45-23-21-39-34-42-36-46(24-22-40(42)33-41(39)35-45)54(44-27-31-48(32-28-44)56(4,5)6)52-20-12-16-38-14-8-10-18-50(38)52/h7-36H,1-6H3
• InChIKey: JOMDTLCQEXOOJA-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.14
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

The IUPAC name of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine (CID 58855159) is 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine is C[Si](C)(C)c1ccc(N(c2ccc3cc4cc(N(c5ccc([Si](C)(C)C)cc5)c5cccc6ccccc56)ccc4cc3c2)c2cccc3ccccc23)cc1.

What is the InChIKey of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

The InChIKey is JOMDTLCQEXOOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2Si2/c1-55(2,3)47-29-25-43(26-30-47)53(51-19-11-15-37-13-7-9-17-49(37)51)45-23-21-39-34-42-36-46(24-22-40(42)33-41(39)35-45)54(44-27-31-48(32-28-44)56(4,5)6)52-20-12-16-38-14-8-10-18-50(38)52/h7-36H,1-6H3.

What are the key properties of 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine has a molecular weight of 757.14 g/mol, XLogP of 14.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-dinaphthalen-1-yl-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 58855159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).