5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

C53H34N4O — CID 154968691

About 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (PubChem CID 154968691) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
• PubChem CID: 154968691
• Molecular Formula: C53H34N4O
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.27
• IUPAC Name: 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
• SMILES: c1ccc(C2=NC(c3cccc(-c4cc5ccccc5c5c4oc4c(-n6c7ccccc7c7cc8ccccc8cc76)cccc45)c3)NC(c3ccccc3)=N2)cc1
• InChI: InChI=1S/C53H34N4O/c1-3-15-33(16-4-1)51-54-52(34-17-5-2-6-18-34)56-53(55-51)39-23-13-22-37(29-39)43-31-38-21-9-10-24-40(38)48-42-26-14-28-46(49(42)58-50(43)48)57-45-27-12-11-25-41(45)44-30-35-19-7-8-20-36(35)32-47(44)57/h1-32,53H,(H,54,55,56)
• InChIKey: RSHCVQNZUUDLHL-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-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?

The IUPAC name of 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (CID 154968691) is 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?

The canonical SMILES for 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is c1ccc(C2=NC(c3cccc(-c4cc5ccccc5c5c4oc4c(-n6c7ccccc7c7cc8ccccc8cc76)cccc45)c3)NC(c3ccccc3)=N2)cc1.

What is the InChIKey of 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?

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

What are the key properties of 5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?

5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]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-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is sourced from PubChem (CID 154968691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).