N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine

C60H41NO — CID 155066053

About N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine

N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine (PubChem CID 155066053) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
• PubChem CID: 155066053
• Molecular Formula: C60H41NO
• Molecular Weight: 791.99 g/mol
• Exact Mass: 791.32
• IUPAC Name: N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine
• SMILES: C1=CCC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3)cc21
• InChI: InChI=1S/C60H41NO/c1-3-16-41(17-4-1)46-22-13-23-51-52-24-14-28-57(59(52)62-58(46)51)61(45-35-31-39-15-7-8-18-42(39)37-45)44-33-29-40(30-34-44)43-32-36-50-49-21-10-12-27-55(49)60(56(50)38-43)53-25-6-2-5-19-47(53)48-20-9-11-26-54(48)60/h1-4,6-18,20-24,26-38H,5,19,25H2
• InChIKey: IEDLRUCVMORDCQ-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.99
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?

The IUPAC name of N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine (CID 155066053) is N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?

The canonical SMILES for N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine is C1=CCC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4oc4c(-c6ccccc6)cccc45)cc3)cc21.

What is the InChIKey of N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?

The InChIKey is IEDLRUCVMORDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-3-16-41(17-4-1)46-22-13-23-51-52-24-14-28-57(59(52)62-58(46)51)61(45-35-31-39-15-7-8-18-42(39)37-45)44-33-29-40(30-34-44)43-32-36-50-49-21-10-12-27-55(49)60(56(50)38-43)53-25-6-2-5-19-47(53)48-20-9-11-26-54(48)60/h1-4,6-18,20-24,26-38H,5,19,25H2.

What are the key properties of N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine?

N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine has a molecular weight of 791.99 g/mol, XLogP of 16.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-6-phenyl-N-(4-spiro[6,9-dihydro-5H-benzo[a]azulene-10,9'-fluorene]-2'-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 155066053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).