N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline

C₅₂H₃₄N₂O — CID 153314763

About N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline

N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 153314763) has the molecular formula C₅₂H₃₄N₂O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
• PubChem CID: 153314763
• Molecular Formula: C₅₂H₃₄N₂O
• Molecular Weight: 702.86 g/mol
• Exact Mass: 702.27
• IUPAC Name: N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
• SMILES: c1cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C52H34N2O/c1-2-13-37-32-38(25-24-35(37)12-1)36-26-29-40(30-27-36)53(41-14-11-15-42(34-41)54-49-21-8-4-17-44(49)45-18-5-9-22-50(45)54)48-20-7-3-16-43(48)39-28-31-47-46-19-6-10-23-51(46)55-52(47)33-39/h1-34H
• InChIKey: SASBIRUQFABTIE-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.86
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline?

The IUPAC name of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline (CID 153314763) is N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline.

What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline?

The canonical SMILES for N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline is c1cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline?

The InChIKey is SASBIRUQFABTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-13-37-32-38(25-24-35(37)12-1)36-26-29-40(30-27-36)53(41-14-11-15-42(34-41)54-49-21-8-4-17-44(49)45-18-5-9-22-50(45)54)48-20-7-3-16-43(48)39-28-31-47-46-19-6-10-23-51(46)55-52(47)33-39/h1-34H.

What are the key properties of N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline?

N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 153314763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153314763 — identifiers, structure, computed properties (public domain)

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