2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine

C61H60N2O2 — CID 161284315

About 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine

2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine (PubChem CID 161284315) has the molecular formula C61H60N2O2 and a molecular weight of 853.16 g/mol. Its IUPAC name is 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
• PubChem CID: 161284315
• Molecular Formula: C61H60N2O2
• Molecular Weight: 853.16 g/mol
• Exact Mass: 852.47
• IUPAC Name: 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
• SMILES: CCCCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(N(c4ccc(C)cc4)c4ccc(OCCCC)cc4)ccc2-3)cc1
• InChI: InChI=1S/C61H60N2O2/c1-7-9-39-64-55-33-27-51(28-34-55)62(49-23-15-45(5)16-24-49)53-31-37-57-58-38-32-54(63(50-25-17-46(6)18-26-50)52-29-35-56(36-30-52)65-40-10-8-2)42-60(58)61(59(57)41-53,47-19-11-43(3)12-20-47)48-21-13-44(4)14-22-48/h11-38,41-42H,7-10,39-40H2,1-6H3
• InChIKey: DWESRXDQXJMGAD-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.16
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine?

The IUPAC name of 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine (CID 161284315) is 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine.

What is the SMILES notation for 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine?

The canonical SMILES for 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine is CCCCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(N(c4ccc(C)cc4)c4ccc(OCCCC)cc4)ccc2-3)cc1.

What is the InChIKey of 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine?

The InChIKey is DWESRXDQXJMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N2O2/c1-7-9-39-64-55-33-27-51(28-34-55)62(49-23-15-45(5)16-24-49)53-31-37-57-58-38-32-54(63(50-25-17-46(6)18-26-50)52-29-35-56(36-30-52)65-40-10-8-2)42-60(58)61(59(57)41-53,47-19-11-43(3)12-20-47)48-21-13-44(4)14-22-48/h11-38,41-42H,7-10,39-40H2,1-6H3.

What are the key properties of 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine?

2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine has a molecular weight of 853.16 g/mol, XLogP of 16.58, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 161284315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).