N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C₅₄H₃₈N₄O — CID 147853514

About N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 147853514) has the molecular formula C₅₄H₃₈N₄O and a molecular weight of 758.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
• PubChem CID: 147853514
• Molecular Formula: C₅₄H₃₈N₄O
• Molecular Weight: 758.93 g/mol
• Exact Mass: 758.30
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc21
• InChI: InChI=1S/C54H38N4O/c1-54(2)45-25-13-12-22-41(45)42-33-32-40(34-46(42)54)58(39-30-28-36(29-31-39)35-16-6-3-7-17-35)47-26-14-23-43-49-44(24-15-27-48(49)59-50(43)47)53-56-51(37-18-8-4-9-19-37)55-52(57-53)38-20-10-5-11-21-38/h3-34H,1-2H3
• InChIKey: HVGZUKFXYGQDAK-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 55.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.93
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 147853514) is N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

The InChIKey is HVGZUKFXYGQDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4O/c1-54(2)45-25-13-12-22-41(45)42-33-32-40(34-46(42)54)58(39-30-28-36(29-31-39)35-16-6-3-7-17-35)47-26-14-23-43-49-44(24-15-27-48(49)59-50(43)47)53-56-51(37-18-8-4-9-19-37)55-52(57-53)38-20-10-5-11-21-38/h3-34H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?

N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 758.93 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 147853514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 147853514 — identifiers, structure, computed properties (public domain)

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