9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole

C61H37N5O — CID 168807835

About 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole

9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (PubChem CID 168807835) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
• PubChem CID: 168807835
• Molecular Formula: C61H37N5O
• Molecular Weight: 856.00 g/mol
• Exact Mass: 855.30
• IUPAC Name: 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
• SMILES: c1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c8ccccc8n(-c8cccc9c%10ccccc%10n(-c%10ccc%11ccccc%11c%10)c89)c67)n5)c4c3c2)cc1
• InChI: InChI=1S/C61H37N5O/c1-3-16-38(17-4-1)42-33-35-54-50(37-42)56-48(26-15-31-55(56)67-54)60-62-59(40-19-5-2-6-20-40)63-61(64-60)49-27-13-24-46-44-22-10-12-29-52(44)66(57(46)49)53-30-14-25-47-45-23-9-11-28-51(45)65(58(47)53)43-34-32-39-18-7-8-21-41(39)36-43/h1-37H
• InChIKey: RFLRPOBTIZONEK-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.00
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?

The IUPAC name of 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole (CID 168807835) is 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole.

What is the SMILES notation for 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?

The canonical SMILES for 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is c1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c8ccccc8n(-c8cccc9c%10ccccc%10n(-c%10ccc%11ccccc%11c%10)c89)c67)n5)c4c3c2)cc1.

What is the InChIKey of 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?

The InChIKey is RFLRPOBTIZONEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-3-16-38(17-4-1)42-33-35-54-50(37-42)56-48(26-15-31-55(56)67-54)60-62-59(40-19-5-2-6-20-40)63-61(64-60)49-27-13-24-46-44-22-10-12-29-52(44)66(57(46)49)53-30-14-25-47-45-23-9-11-28-51(45)65(58(47)53)43-34-32-39-18-7-8-21-41(39)36-43/h1-37H.

What are the key properties of 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole?

9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole has a molecular weight of 856.00 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 168807835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).