2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine

C59H37NO — CID 170221477

About 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine

2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine (PubChem CID 170221477) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine.

Molecular Properties

• Compound Name: 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine
• PubChem CID: 170221477
• Molecular Formula: C59H37NO
• Molecular Weight: 775.95 g/mol
• Exact Mass: 775.29
• IUPAC Name: 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine
• SMILES: C(=C1c2ccccc2-c2ccccc21)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc42)c2c-3oc3ccccc23)cc1
• InChI: InChI=1S/C59H37NO/c1-3-16-41(17-4-1)60(42-18-5-2-6-19-42)54-28-15-27-52-56(54)47-24-11-13-26-51(47)59(52)53-37-40(34-35-48(53)58-57(59)49-25-12-14-29-55(49)61-58)39-32-30-38(31-33-39)36-50-45-22-9-7-20-43(45)44-21-8-10-23-46(44)50/h1-37H
• InChIKey: MQZVICPBQUVFNZ-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.95
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine?

The IUPAC name of 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine (CID 170221477) is 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine.

What is the SMILES notation for 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine?

The canonical SMILES for 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine is C(=C1c2ccccc2-c2ccccc21)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cccc42)c2c-3oc3ccccc23)cc1.

What is the InChIKey of 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine?

The InChIKey is MQZVICPBQUVFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-3-16-41(17-4-1)60(42-18-5-2-6-19-42)54-28-15-27-52-56(54)47-24-11-13-26-51(47)59(52)53-37-40(34-35-48(53)58-57(59)49-25-12-14-29-55(49)61-58)39-32-30-38(31-33-39)36-50-45-22-9-7-20-43(45)44-21-8-10-23-46(44)50/h1-37H.

What are the key properties of 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine?

2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine has a molecular weight of 775.95 g/mol, XLogP of 15.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[4-(fluoren-9-ylidenemethyl)phenyl]-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-amine is sourced from PubChem (CID 170221477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).