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

C39H28N4O — CID 167223794

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

9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (PubChem CID 167223794) has the molecular formula C39H28N4O and a molecular weight of 568.68 g/mol. Its IUPAC name is 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
• PubChem CID: 167223794
• Molecular Formula: C39H28N4O
• Molecular Weight: 568.68 g/mol
• Exact Mass: 568.23
• IUPAC Name: 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
• SMILES: C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-c2cccc3c2oc2cccc(-n4c5ccccc5c5ccccc54)c23)n1
• InChI: InChI=1S/C39H28N4O/c1-3-4-14-25(2)37-40-38(26-15-6-5-7-16-26)42-39(41-37)30-20-12-19-29-35-33(23-13-24-34(35)44-36(29)30)43-31-21-10-8-17-27(31)28-18-9-11-22-32(28)43/h3-24H,1-2H3/b4-3-,25-14+
• InChIKey: VQVOVWITFAFAGJ-WFUUWAEPSA-N
• XLogP: 10.18
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.68
LogP ≤ 5	10.18
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 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?

The IUPAC name of 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (CID 167223794) is 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.

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

The canonical SMILES for 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-c2cccc3c2oc2cccc(-n4c5ccccc5c5ccccc54)c23)n1.

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

The InChIKey is VQVOVWITFAFAGJ-WFUUWAEPSA-N. The full InChI is InChI=1S/C39H28N4O/c1-3-4-14-25(2)37-40-38(26-15-6-5-7-16-26)42-39(41-37)30-20-12-19-29-35-33(23-13-24-34(35)44-36(29)30)43-31-21-10-8-17-27(31)28-18-9-11-22-32(28)43/h3-24H,1-2H3/b4-3-,25-14+.

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

9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole has a molecular weight of 568.68 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 167223794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).