2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine

C57H38N2O — CID 134529735

About 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine

2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine (PubChem CID 134529735) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine.

Molecular Properties

• Compound Name: 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
• PubChem CID: 134529735
• Molecular Formula: C57H38N2O
• Molecular Weight: 766.94 g/mol
• Exact Mass: 766.30
• IUPAC Name: 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4c3oc3ccccc43)cc2)cc1
• InChI: InChI=1S/C57H38N2O/c1-5-17-39(18-6-1)40-29-31-44(32-30-40)59(43-23-11-4-12-24-43)45-33-35-48-47-25-13-15-27-51(47)57(52(48)37-45)53-38-46(58(41-19-7-2-8-20-41)42-21-9-3-10-22-42)34-36-49(53)55-50-26-14-16-28-54(50)60-56(55)57/h1-38H
• InChIKey: MWQHCXINQFEKGI-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.94
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

The IUPAC name of 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine (CID 134529735) is 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine.

What is the SMILES notation for 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

The canonical SMILES for 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4c3oc3ccccc43)cc2)cc1.

What is the InChIKey of 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

The InChIKey is MWQHCXINQFEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-5-17-39(18-6-1)40-29-31-44(32-30-40)59(43-23-11-4-12-24-43)45-33-35-48-47-25-13-15-27-51(47)57(52(48)37-45)53-38-46(58(41-19-7-2-8-20-41)42-21-9-3-10-22-42)34-36-49(53)55-50-26-14-16-28-54(50)60-56(55)57/h1-38H.

What are the key properties of 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine?

2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine has a molecular weight of 766.94 g/mol, XLogP of 15.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine is sourced from PubChem (CID 134529735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).