5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole

C53H34N4O — CID 155474715

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

5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole (PubChem CID 155474715) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
• PubChem CID: 155474715
• Molecular Formula: C53H34N4O
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.27
• IUPAC Name: 5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
• SMILES: c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5c4oc4ccccc45)c3)N=C(c3ccc4ccccc4c3)N2)cc1
• InChI: InChI=1S/C53H34N4O/c1-2-14-34(15-3-1)51-54-52(38-26-25-33-13-4-5-16-35(33)29-38)56-53(55-51)39-27-28-47(45(31-39)43-22-12-21-42-41-20-9-11-24-49(41)58-50(42)43)57-46-23-10-8-19-40(46)44-30-36-17-6-7-18-37(36)32-48(44)57/h1-32,51H,(H,54,55,56)
• InChIKey: VRIMMVDHFZKSFJ-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole (CID 155474715) is 5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole.

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

The canonical SMILES for 5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole is c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5c4oc4ccccc45)c3)N=C(c3ccc4ccccc4c3)N2)cc1.

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

The InChIKey is VRIMMVDHFZKSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-2-14-34(15-3-1)51-54-52(38-26-25-33-13-4-5-16-35(33)29-38)56-53(55-51)39-27-28-47(45(31-39)43-22-12-21-42-41-20-9-11-24-49(41)58-50(42)43)57-46-23-10-8-19-40(46)44-30-36-17-6-7-18-37(36)32-48(44)57/h1-32,51H,(H,54,55,56).

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

5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole has a molecular weight of 742.88 g/mol, XLogP of 13.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155474715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).