4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole

C96H54N8O4 — CID 167129063

About 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole

4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 167129063) has the molecular formula C96H54N8O4 and a molecular weight of 1383.54 g/mol. Its IUPAC name is 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

• Compound Name: 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole
• PubChem CID: 167129063
• Molecular Formula: C96H54N8O4
• Molecular Weight: 1383.54 g/mol
• Exact Mass: 1382.43
• IUPAC Name: 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc6c(c5)oc5cc7nc(-c8cccc(-c9cccc(-c%10nc(-c%11ccc%12ccccc%12c%11)nc(-c%11cc(-c%12c%13oc(-c%14ccc%15ccccc%15c%14)nc%13cc%13oc%14ccccc%14c%12%13)cc%12ccccc%11%12)n%10)c9)c8)oc7cc56)ccc34)n2)cc1
• InChI: InChI=1S/C96H54N8O4/c1-3-20-57(21-4-1)89-99-90(58-22-5-2-6-23-58)102-93(101-89)75-34-17-29-66-44-63(40-42-73(66)75)64-41-43-74-77-52-84-79(53-83(77)106-82(74)51-64)97-95(107-84)69-31-16-28-62(48-69)61-27-15-30-67(46-61)91-100-92(68-38-36-55-18-7-9-24-59(55)45-68)104-94(103-91)78-50-71(49-65-26-11-12-32-72(65)78)86-87-76-33-13-14-35-81(76)105-85(87)54-80-88(86)108-96(98-80)70-39-37-56-19-8-10-25-60(56)47-70/h1-54H
• InChIKey: FGYHBOYPFKJOIE-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.54
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole?

The IUPAC name of 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 167129063) is 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole.

What is the SMILES notation for 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole?

The canonical SMILES for 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc6c(c5)oc5cc7nc(-c8cccc(-c9cccc(-c%10nc(-c%11ccc%12ccccc%12c%11)nc(-c%11cc(-c%12c%13oc(-c%14ccc%15ccccc%15c%14)nc%13cc%13oc%14ccccc%14c%12%13)cc%12ccccc%11%12)n%10)c9)c8)oc7cc56)ccc34)n2)cc1.

What is the InChIKey of 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole?

The InChIKey is FGYHBOYPFKJOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N8O4/c1-3-20-57(21-4-1)89-99-90(58-22-5-2-6-23-58)102-93(101-89)75-34-17-29-66-44-63(40-42-73(66)75)64-41-43-74-77-52-84-79(53-83(77)106-82(74)51-64)97-95(107-84)69-31-16-28-62(48-69)61-27-15-30-67(46-61)91-100-92(68-38-36-55-18-7-9-24-59(55)45-68)104-94(103-91)78-50-71(49-65-26-11-12-32-72(65)78)86-87-76-33-13-14-35-81(76)105-85(87)54-80-88(86)108-96(98-80)70-39-37-56-19-8-10-25-60(56)47-70/h1-54H.

What are the key properties of 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole?

4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole has a molecular weight of 1383.54 g/mol, XLogP of 25.09, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[3-[3-[7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 167129063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).