3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine

C61H44N2O — CID 177286648

About 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine

3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 177286648) has the molecular formula C61H44N2O and a molecular weight of 821.04 g/mol. Its IUPAC name is 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
• PubChem CID: 177286648
• Molecular Formula: C61H44N2O
• Molecular Weight: 821.04 g/mol
• Exact Mass: 820.35
• IUPAC Name: 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5ccccc5c4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C61H44N2O/c1-61(2)55-30-16-14-27-51(55)52-36-34-46(40-56(52)61)63(57-31-18-29-54-53-28-15-17-32-58(53)64-60(54)57)48-38-43(37-47(39-48)62(44-22-8-4-9-23-44)45-24-10-5-11-25-45)50-35-33-41-19-12-13-26-49(41)59(50)42-20-6-3-7-21-42/h3-40H,1-2H3
• InChIKey: QAXXBITVPUEZNC-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.04
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The IUPAC name of 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine (CID 177286648) is 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5ccccc5c4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c3cccc4c3oc3ccccc34)cc21.

What is the InChIKey of 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The InChIKey is QAXXBITVPUEZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2O/c1-61(2)55-30-16-14-27-51(55)52-36-34-46(40-56(52)61)63(57-31-18-29-54-53-28-15-17-32-58(53)64-60(54)57)48-38-43(37-47(39-48)62(44-22-8-4-9-23-44)45-24-10-5-11-25-45)50-35-33-41-19-12-13-26-49(41)59(50)42-20-6-3-7-21-42/h3-40H,1-2H3.

What are the key properties of 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 821.04 g/mol, XLogP of 17.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-dibenzofuran-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 177286648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).