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

C61H40N2O — CID 134529977

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

2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine (PubChem CID 134529977) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is 2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine.

Molecular Properties

• Compound Name: 2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
• PubChem CID: 134529977
• Molecular Formula: C61H40N2O
• Molecular Weight: 817.00 g/mol
• Exact Mass: 816.31
• IUPAC Name: 2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1
• InChI: InChI=1S/C61H40N2O/c1-4-17-41(18-5-1)42-31-33-46(34-32-42)62(44-21-6-2-7-22-44)47-36-38-55-53(39-47)59-52-27-13-15-30-58(52)64-60(59)61(55)54-28-14-12-26-50(54)51-37-35-48(40-56(51)61)63(45-23-8-3-9-24-45)57-29-16-20-43-19-10-11-25-49(43)57/h1-40H
• InChIKey: DNJUAFKIFULHDS-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.00
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine (CID 134529977) is 2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine.

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

The canonical SMILES for 2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1.

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

The InChIKey is DNJUAFKIFULHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-4-17-41(18-5-1)42-31-33-46(34-32-42)62(44-21-6-2-7-22-44)47-36-38-55-53(39-47)59-52-27-13-15-30-58(52)64-60(59)61(55)54-28-14-12-26-50(54)51-37-35-48(40-56(51)61)63(45-23-8-3-9-24-45)57-29-16-20-43-19-10-11-25-49(43)57/h1-40H.

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

2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine has a molecular weight of 817.00 g/mol, XLogP of 16.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine is sourced from PubChem (CID 134529977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).