2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine

C72H64N2Si2 — CID 76628816

About 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine

2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine (PubChem CID 76628816) has the molecular formula C72H64N2Si2 and a molecular weight of 1013.49 g/mol. Its IUPAC name is 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine
• PubChem CID: 76628816
• Molecular Formula: C72H64N2Si2
• Molecular Weight: 1013.49 g/mol
• Exact Mass: 1012.46
• IUPAC Name: 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4cccc(C=Cc5ccccc5)c4)c4cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4cccc(C=Cc5ccccc5)c4)c3c2)cc1
• InChI: InChI=1S/C72H64N2Si2/c1-75(2,3)65-43-37-61(38-44-65)73(59-29-15-9-16-30-59)63-41-47-67-69(51-63)71(57-27-19-25-55(49-57)35-33-53-21-11-7-12-22-53)68-48-42-64(74(60-31-17-10-18-32-60)62-39-45-66(46-40-62)76(4,5)6)52-70(68)72(67)58-28-20-26-56(50-58)36-34-54-23-13-8-14-24-54/h7-52H,1-6H3
• InChIKey: AIZKWKUUOPRMCZ-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.49
LogP ≤ 5	19.70
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

The IUPAC name of 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine (CID 76628816) is 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4cccc(C=Cc5ccccc5)c4)c4cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4cccc(C=Cc5ccccc5)c4)c3c2)cc1.

What is the InChIKey of 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

The InChIKey is AIZKWKUUOPRMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N2Si2/c1-75(2,3)65-43-37-61(38-44-65)73(59-29-15-9-16-30-59)63-41-47-67-69(51-63)71(57-27-19-25-55(49-57)35-33-53-21-11-7-12-22-53)68-48-42-64(74(60-31-17-10-18-32-60)62-39-45-66(46-40-62)76(4,5)6)52-70(68)72(67)58-28-20-26-56(50-58)36-34-54-23-13-8-14-24-54/h7-52H,1-6H3.

What are the key properties of 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine?

2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine has a molecular weight of 1013.49 g/mol, XLogP of 19.70, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-diphenyl-9,10-bis[3-(2-phenylethenyl)phenyl]-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 76628816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).