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

C51H30N4O — CID 163878525

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

5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 163878525) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 163878525
• Molecular Formula: C51H30N4O
• Molecular Weight: 714.83 g/mol
• Exact Mass: 714.24
• IUPAC Name: 5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4oc5ccccc5c4c4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc34)n2)cc1
• InChI: InChI=1S/C51H30N4O/c1-2-14-32(15-3-1)49-52-50(39-22-12-18-31-13-6-7-19-36(31)39)54-51(53-49)43-30-47-48(40-21-9-11-24-46(40)56-47)42-29-35(25-26-37(42)43)55-44-23-10-8-20-38(44)41-27-33-16-4-5-17-34(33)28-45(41)55/h1-30H
• InChIKey: PRAXNYMFMRIAEZ-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.83
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 163878525) is 5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4oc5ccccc5c4c4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc34)n2)cc1.

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

The InChIKey is PRAXNYMFMRIAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-14-32(15-3-1)49-52-50(39-22-12-18-31-13-6-7-19-36(31)39)54-51(53-49)43-30-47-48(40-21-9-11-24-46(40)56-47)42-29-35(25-26-37(42)43)55-44-23-10-8-20-38(44)41-27-33-16-4-5-17-34(33)28-45(41)55/h1-30H.

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

5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 163878525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).