2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine

C57H42N2 — CID 58058867

About 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine

2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine (PubChem CID 58058867) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine
• PubChem CID: 58058867
• Molecular Formula: C57H42N2
• Molecular Weight: 754.98 g/mol
• Exact Mass: 754.33
• IUPAC Name: 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine
• SMILES: C=Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)ccc2-3)c2c3ccccc3cc3ccccc23)cc1
• InChI: InChI=1S/C57H42N2/c1-4-38-26-28-44(29-27-38)59(56-49-24-14-10-18-41(49)35-42-19-11-15-25-50(42)56)46-31-33-52-51-32-30-45(36-53(51)57(2,3)54(52)37-46)58(43-20-6-5-7-21-43)55-47-22-12-8-16-39(47)34-40-17-9-13-23-48(40)55/h4-37H,1H2,2-3H3
• InChIKey: AOUYCPBTKBUDNL-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.98
LogP ≤ 5	16.19
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,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine?

The IUPAC name of 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine (CID 58058867) is 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine.

What is the SMILES notation for 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine?

The canonical SMILES for 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine is C=Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)ccc2-3)c2c3ccccc3cc3ccccc23)cc1.

What is the InChIKey of 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine?

The InChIKey is AOUYCPBTKBUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-4-38-26-28-44(29-27-38)59(56-49-24-14-10-18-41(49)35-42-19-11-15-25-50(42)56)46-31-33-52-51-32-30-45(36-53(51)57(2,3)54(52)37-46)58(43-20-6-5-7-21-43)55-47-22-12-8-16-39(47)34-40-17-9-13-23-48(40)55/h4-37H,1H2,2-3H3.

What are the key properties of 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine?

2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine has a molecular weight of 754.98 g/mol, XLogP of 16.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-di(anthracen-9-yl)-2-N-(4-ethenylphenyl)-9,9-dimethyl-7-N-phenylfluorene-2,7-diamine is sourced from PubChem (CID 58058867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).