5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole

C58H36N4O2 — CID 167043681

About 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole

5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole (PubChem CID 167043681) has the molecular formula C58H36N4O2 and a molecular weight of 820.95 g/mol. Its IUPAC name is 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole
• PubChem CID: 167043681
• Molecular Formula: C58H36N4O2
• Molecular Weight: 820.95 g/mol
• Exact Mass: 820.28
• IUPAC Name: 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole
• SMILES: CC1C=Cc2cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccc6ccccc6c45)n3)c2C1
• InChI: InChI=1S/C58H36N4O2/c1-33-21-22-35-14-10-18-43(44(35)27-33)57-59-56(38-24-25-52-46(29-38)42-17-7-9-20-51(42)63-52)60-58(61-57)48-32-39(31-47-54-40-15-5-4-11-34(40)23-26-53(54)64-55(47)48)62-49-19-8-6-16-41(49)45-28-36-12-2-3-13-37(36)30-50(45)62/h2-26,28-33H,27H2,1H3
• InChIKey: KOVUESYNNSOJMU-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.95
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole?

The IUPAC name of 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole (CID 167043681) is 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole?

The canonical SMILES for 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole is CC1C=Cc2cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccc6ccccc6c45)n3)c2C1.

What is the InChIKey of 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole?

The InChIKey is KOVUESYNNSOJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2/c1-33-21-22-35-14-10-18-43(44(35)27-33)57-59-56(38-24-25-52-46(29-38)42-17-7-9-20-51(42)63-52)60-58(61-57)48-32-39(31-47-54-40-15-5-4-11-34(40)23-26-53(54)64-55(47)48)62-49-19-8-6-16-41(49)45-28-36-12-2-3-13-37(36)30-50(45)62/h2-26,28-33H,27H2,1H3.

What are the key properties of 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole?

5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole has a molecular weight of 820.95 g/mol, XLogP of 15.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[4-dibenzofuran-2-yl-6-(7-methyl-7,8-dihydronaphthalen-1-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole is sourced from PubChem (CID 167043681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).