N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine

C63H41NO2 — CID 146365291

About N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine

N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine (PubChem CID 146365291) has the molecular formula C63H41NO2 and a molecular weight of 844.03 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine.

Molecular Properties

• Compound Name: N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
• PubChem CID: 146365291
• Molecular Formula: C63H41NO2
• Molecular Weight: 844.03 g/mol
• Exact Mass: 843.31
• IUPAC Name: N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4oc5c(c4c3)Oc3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C63H41NO2/c1-5-19-42(20-6-1)46-37-47(43-21-7-2-8-22-43)39-50(38-46)64(48-33-35-51(44-23-9-3-10-24-44)54(40-48)45-25-11-4-12-26-45)49-34-36-59-55(41-49)61-62(66-59)63(58-31-17-18-32-60(58)65-61)56-29-15-13-27-52(56)53-28-14-16-30-57(53)63/h1-41H
• InChIKey: DKKSPNLHGOISOP-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.03
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

The IUPAC name of N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine (CID 146365291) is N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine.

What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

The canonical SMILES for N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4oc5c(c4c3)Oc3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

The InChIKey is DKKSPNLHGOISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO2/c1-5-19-42(20-6-1)46-37-47(43-21-7-2-8-22-43)39-50(38-46)64(48-33-35-51(44-23-9-3-10-24-44)54(40-48)45-25-11-4-12-26-45)49-34-36-59-55(41-49)61-62(66-59)63(58-31-17-18-32-60(58)65-61)56-29-15-13-27-52(56)53-28-14-16-30-57(53)63/h1-41H.

What are the key properties of N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine?

N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine has a molecular weight of 844.03 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine is sourced from PubChem (CID 146365291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).