7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole

C67H40N4O — CID 165375427

About 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole

7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole (PubChem CID 165375427) has the molecular formula C67H40N4O and a molecular weight of 917.08 g/mol. Its IUPAC name is 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
• PubChem CID: 165375427
• Molecular Formula: C67H40N4O
• Molecular Weight: 917.08 g/mol
• Exact Mass: 916.32
• IUPAC Name: 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cccc34)n2)cc1
• InChI: InChI=1S/C67H40N4O/c1-3-16-42(17-4-1)65-68-66(46-19-13-18-43(37-46)44-29-33-55-53-25-10-9-23-51(53)52-24-11-12-26-54(52)58(55)38-44)70-67(69-65)47-30-34-56-57-28-14-27-50(64(57)72-62(56)40-47)45-32-35-60-59(39-45)63-49-22-8-7-15-41(49)31-36-61(63)71(60)48-20-5-2-6-21-48/h1-40H
• InChIKey: FWVYRLKDXGEPHQ-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.08
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?

The IUPAC name of 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole (CID 165375427) is 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole.

What is the SMILES notation for 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?

The canonical SMILES for 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cccc34)n2)cc1.

What is the InChIKey of 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?

The InChIKey is FWVYRLKDXGEPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N4O/c1-3-16-42(17-4-1)65-68-66(46-19-13-18-43(37-46)44-29-33-55-53-25-10-9-23-51(53)52-24-11-12-26-54(52)58(55)38-44)70-67(69-65)47-30-34-56-57-28-14-27-50(64(57)72-62(56)40-47)45-32-35-60-59(39-45)63-49-22-8-7-15-41(49)31-36-61(63)71(60)48-20-5-2-6-21-48/h1-40H.

What are the key properties of 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?

7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole has a molecular weight of 917.08 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole is sourced from PubChem (CID 165375427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).