7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole

C63H38N4O — CID 162501443

About 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole

7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole (PubChem CID 162501443) has the molecular formula C63H38N4O and a molecular weight of 867.02 g/mol. Its IUPAC name is 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole
• PubChem CID: 162501443
• Molecular Formula: C63H38N4O
• Molecular Weight: 867.02 g/mol
• Exact Mass: 866.30
• IUPAC Name: 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c23)cc1
• InChI: InChI=1S/C63H38N4O/c1-3-15-39(16-4-1)45-33-34-54-53(37-45)58-49-24-12-11-23-48(49)52(42-19-5-2-6-20-42)38-56(58)67(54)55-27-13-25-50-59-51(26-14-28-57(59)68-60(50)55)63-65-61(46-31-29-40-17-7-9-21-43(40)35-46)64-62(66-63)47-32-30-41-18-8-10-22-44(41)36-47/h1-38H
• InChIKey: XOCCSCAJCHGLKW-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.02
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole?

The IUPAC name of 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole (CID 162501443) is 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole.

What is the SMILES notation for 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole?

The canonical SMILES for 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c23)cc1.

What is the InChIKey of 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole?

The InChIKey is XOCCSCAJCHGLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O/c1-3-15-39(16-4-1)45-33-34-54-53(37-45)58-49-24-12-11-23-48(49)52(42-19-5-2-6-20-42)38-56(58)67(54)55-27-13-25-50-59-51(26-14-28-57(59)68-60(50)55)63-65-61(46-31-29-40-17-7-9-21-43(40)35-46)64-62(66-63)47-32-30-41-18-8-10-22-44(41)36-47/h1-38H.

What are the key properties of 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole?

7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole has a molecular weight of 867.02 g/mol, XLogP of 16.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole is sourced from PubChem (CID 162501443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).