4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde

C61H40N2O2 — CID 58568911

About 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde

4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde (PubChem CID 58568911) has the molecular formula C61H40N2O2 and a molecular weight of 833.00 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde.

Molecular Properties

• Compound Name: 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde
• PubChem CID: 58568911
• Molecular Formula: C61H40N2O2
• Molecular Weight: 833.00 g/mol
• Exact Mass: 832.31
• IUPAC Name: 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde
• SMILES: O=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C61H40N2O2/c64-40-41-16-18-42(19-17-41)43-20-22-44(23-21-43)45-24-32-49(33-25-45)62(51-38-30-48(31-39-51)53-11-7-12-57-56-10-3-6-15-60(56)65-61(53)57)50-34-26-46(27-35-50)47-28-36-52(37-29-47)63-58-13-4-1-8-54(58)55-9-2-5-14-59(55)63/h1-40H
• InChIKey: IMLNEKRFFSNQLV-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 38.38 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.00
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde?

The IUPAC name of 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde (CID 58568911) is 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde.

What is the SMILES notation for 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde?

The canonical SMILES for 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde?

The InChIKey is IMLNEKRFFSNQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O2/c64-40-41-16-18-42(19-17-41)43-20-22-44(23-21-43)45-24-32-49(33-25-45)62(51-38-30-48(31-39-51)53-11-7-12-57-56-10-3-6-15-60(56)65-61(53)57)50-34-26-46(27-35-50)47-28-36-52(37-29-47)63-58-13-4-1-8-54(58)55-9-2-5-14-59(55)63/h1-40H.

What are the key properties of 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde?

4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde has a molecular weight of 833.00 g/mol, XLogP of 16.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde is sourced from PubChem (CID 58568911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).