3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole

C52H36N4O — CID 163498747

About 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole

3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole (PubChem CID 163498747) has the molecular formula C52H36N4O and a molecular weight of 732.89 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole
• PubChem CID: 163498747
• Molecular Formula: C52H36N4O
• Molecular Weight: 732.89 g/mol
• Exact Mass: 732.29
• IUPAC Name: 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole
• SMILES: C=C(/C(=C\C=C/C)c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1)n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21
• InChI: InChI=1S/C52H36N4O/c1-3-4-20-40(52-54-50(37-18-9-6-10-19-37)53-51(55-52)38-29-27-36(28-30-38)35-16-7-5-8-17-35)34(2)56-46-25-13-11-21-42(46)45-33-39(31-32-47(45)56)41-23-15-24-44-43-22-12-14-26-48(43)57-49(41)44/h3-33H,2H2,1H3/b4-3-,40-20+
• InChIKey: CSXOTESJGYWQJO-BXFAIVDQSA-N
• XLogP: 13.68
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.89
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole?

The IUPAC name of 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole (CID 163498747) is 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole.

What is the SMILES notation for 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole?

The canonical SMILES for 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole is C=C(/C(=C\C=C/C)c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1)n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21.

What is the InChIKey of 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole?

The InChIKey is CSXOTESJGYWQJO-BXFAIVDQSA-N. The full InChI is InChI=1S/C52H36N4O/c1-3-4-20-40(52-54-50(37-18-9-6-10-19-37)53-51(55-52)38-29-27-36(28-30-38)35-16-7-5-8-17-35)34(2)56-46-25-13-11-21-42(46)45-33-39(31-32-47(45)56)41-23-15-24-44-43-22-12-14-26-48(43)57-49(41)44/h3-33H,2H2,1H3/b4-3-,40-20+.

What are the key properties of 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole?

3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole has a molecular weight of 732.89 g/mol, XLogP of 13.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-4-yl-9-[(3E,5Z)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]hepta-1,3,5-trien-2-yl]carbazole is sourced from PubChem (CID 163498747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).