5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

C57H32N4O2 — CID 164715019

About 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 164715019) has the molecular formula C57H32N4O2 and a molecular weight of 804.91 g/mol. Its IUPAC name is 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• PubChem CID: 164715019
• Molecular Formula: C57H32N4O2
• Molecular Weight: 804.91 g/mol
• Exact Mass: 804.25
• IUPAC Name: 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4ccccc34)n2)c2c(c1)oc1c3ccccc3ccc12
• InChI: InChI=1S/C57H32N4O2/c1-2-15-36-30-49-45(28-35(36)14-1)41-19-7-9-22-48(41)61(49)38-31-47(53-44-26-24-34-13-4-6-18-40(34)54(44)63-52(53)32-38)57-59-55(37-25-27-51-46(29-37)42-20-8-10-23-50(42)62-51)58-56(60-57)43-21-11-16-33-12-3-5-17-39(33)43/h1-32H
• InChIKey: LLCCZMPYOOJJFE-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.91
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The IUPAC name of 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 164715019) is 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The canonical SMILES for 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4ccccc34)n2)c2c(c1)oc1c3ccccc3ccc12.

What is the InChIKey of 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

The InChIKey is LLCCZMPYOOJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4O2/c1-2-15-36-30-49-45(28-35(36)14-1)41-19-7-9-22-48(41)61(49)38-31-47(53-44-26-24-34-13-4-6-18-40(34)54(44)63-52(53)32-38)57-59-55(37-25-27-51-46(29-37)42-20-8-10-23-50(42)62-51)58-56(60-57)43-21-11-16-33-12-3-5-17-39(33)43/h1-32H.

What are the key properties of 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?

5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole has a molecular weight of 804.91 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 164715019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).