N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine

C52H49NOSi — CID 140786782

About N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine

N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine (PubChem CID 140786782) has the molecular formula C52H49NOSi and a molecular weight of 732.06 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
• PubChem CID: 140786782
• Molecular Formula: C52H49NOSi
• Molecular Weight: 732.06 g/mol
• Exact Mass: 731.36
• IUPAC Name: N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
• SMILES: Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)c2c3oc3ccccc32)cc1
• InChI: InChI=1S/C52H49NOSi/c1-34-17-21-37(22-18-34)52(38-23-19-35(2)20-24-38)44-15-11-9-13-42(44)48-45(52)33-46(49-43-14-10-12-16-47(43)54-50(48)49)53(39-27-25-36(26-28-39)51(3,4)5)40-29-31-41(32-30-40)55(6,7)8/h9-33H,1-8H3
• InChIKey: HBJINQMPPNLKJQ-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.06
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine?

The IUPAC name of N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine (CID 140786782) is N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine.

What is the SMILES notation for N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine?

The canonical SMILES for N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)c2c3oc3ccccc32)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine?

The InChIKey is HBJINQMPPNLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49NOSi/c1-34-17-21-37(22-18-34)52(38-23-19-35(2)20-24-38)44-15-11-9-13-42(44)48-45(52)33-46(49-43-14-10-12-16-47(43)54-50(48)49)53(39-27-25-36(26-28-39)51(3,4)5)40-29-31-41(32-30-40)55(6,7)8/h9-33H,1-8H3.

What are the key properties of N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine?

N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine has a molecular weight of 732.06 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine is sourced from PubChem (CID 140786782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).