9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

C52H34N2O — CID 171754416

About 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 171754416) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

• Compound Name: 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
• PubChem CID: 171754416
• Molecular Formula: C52H34N2O
• Molecular Weight: 702.86 g/mol
• Exact Mass: 702.27
• IUPAC Name: 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4cc(-c5ccccc5)ccc4c3)c3cc4oc5cc(C6=Nc7ccccc7C6)ccc5c4c4ccccc34)cc2)cc1
• InChI: InChI=1S/C52H34N2O/c1-3-11-34(12-4-1)36-21-25-42(26-22-36)54(43-27-23-38-29-37(19-20-39(38)30-43)35-13-5-2-6-14-35)49-33-51-52(45-17-9-8-16-44(45)49)46-28-24-41(32-50(46)55-51)48-31-40-15-7-10-18-47(40)53-48/h1-30,32-33H,31H2
• InChIKey: GTHSRYKTXZTVRZ-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 28.74 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.86
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?

The IUPAC name of 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (CID 171754416) is 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.

What is the SMILES notation for 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?

The canonical SMILES for 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc4cc(-c5ccccc5)ccc4c3)c3cc4oc5cc(C6=Nc7ccccc7C6)ccc5c4c4ccccc34)cc2)cc1.

What is the InChIKey of 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?

The InChIKey is GTHSRYKTXZTVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-11-34(12-4-1)36-21-25-42(26-22-36)54(43-27-23-38-29-37(19-20-39(38)30-43)35-13-5-2-6-14-35)49-33-51-52(45-17-9-8-16-44(45)49)46-28-24-41(32-50(46)55-51)48-31-40-15-7-10-18-47(40)53-48/h1-30,32-33H,31H2.

What are the key properties of 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?

9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 702.86 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 171754416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).