2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole

C55H32N6O2 — CID 149442603

About 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole

2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 149442603) has the molecular formula C55H32N6O2 and a molecular weight of 808.90 g/mol. Its IUPAC name is 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
• PubChem CID: 149442603
• Molecular Formula: C55H32N6O2
• Molecular Weight: 808.90 g/mol
• Exact Mass: 808.26
• IUPAC Name: 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
• SMILES: c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccc4ccc(-c5nc6ccccc6o5)cc4c3)nc(-c3ccc4ccc(-c5nc6ccccc6o5)cc4c3)n2)c1
• InChI: InChI=1S/C55H32N6O2/c1-6-16-46-41(11-1)42-12-2-7-17-47(42)61(46)48-18-8-3-13-43(48)53-59-51(35-25-21-33-23-27-37(31-39(33)29-35)54-56-44-14-4-9-19-49(44)62-54)58-52(60-53)36-26-22-34-24-28-38(32-40(34)30-36)55-57-45-15-5-10-20-50(45)63-55/h1-32H
• InChIKey: YWAYRMYZYLVFMF-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 95.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.90
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?

The IUPAC name of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole (CID 149442603) is 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole.

What is the SMILES notation for 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?

The canonical SMILES for 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccc4ccc(-c5nc6ccccc6o5)cc4c3)nc(-c3ccc4ccc(-c5nc6ccccc6o5)cc4c3)n2)c1.

What is the InChIKey of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?

The InChIKey is YWAYRMYZYLVFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N6O2/c1-6-16-46-41(11-1)42-12-2-7-17-47(42)61(46)48-18-8-3-13-43(48)53-59-51(35-25-21-33-23-27-37(31-39(33)29-35)54-56-44-14-4-9-19-49(44)62-54)58-52(60-53)36-26-22-34-24-28-38(32-40(34)30-36)55-57-45-15-5-10-20-50(45)63-55/h1-32H.

What are the key properties of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?

2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 808.90 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 149442603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).