5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole

C57H34N4O — CID 155474988

About 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole

5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole (PubChem CID 155474988) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole
• PubChem CID: 155474988
• Molecular Formula: C57H34N4O
• Molecular Weight: 790.93 g/mol
• Exact Mass: 790.27
• IUPAC Name: 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccccc6c45)c3)nc(-c3c4ccccc4cc4ccccc34)n2)cc1
• InChI: InChI=1S/C57H34N4O/c1-2-15-35(16-3-1)55-58-56(60-57(59-55)54-41-21-8-6-19-38(41)31-39-20-7-9-22-42(39)54)40-29-30-49(47(33-40)44-25-14-28-52-53(44)45-24-11-13-27-51(45)62-52)61-48-26-12-10-23-43(48)46-32-36-17-4-5-18-37(36)34-50(46)61/h1-34H
• InChIKey: KCOHDKLBDVLXNC-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.93
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole?

The IUPAC name of 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole (CID 155474988) is 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole.

What is the SMILES notation for 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole?

The canonical SMILES for 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccccc6c45)c3)nc(-c3c4ccccc4cc4ccccc34)n2)cc1.

What is the InChIKey of 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole?

The InChIKey is KCOHDKLBDVLXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-2-15-35(16-3-1)55-58-56(60-57(59-55)54-41-21-8-6-19-38(41)31-39-20-7-9-22-42(39)54)40-29-30-49(47(33-40)44-25-14-28-52-53(44)45-24-11-13-27-51(45)62-52)61-48-26-12-10-23-43(48)46-32-36-17-4-5-18-37(36)34-50(46)61/h1-34H.

What are the key properties of 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole?

5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole has a molecular weight of 790.93 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155474988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).