5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine

C75H45N5O3 — CID 167401810

About 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine

5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine (PubChem CID 167401810) has the molecular formula C75H45N5O3 and a molecular weight of 1064.22 g/mol. Its IUPAC name is 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine.

Molecular Properties

• Compound Name: 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine
• PubChem CID: 167401810
• Molecular Formula: C75H45N5O3
• Molecular Weight: 1064.22 g/mol
• Exact Mass: 1063.35
• IUPAC Name: 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4ccc32)cc1
• InChI: InChI=1S/C75H45N5O3/c1-5-20-46(21-6-1)59-42-50(75-77-73(48-36-38-55-53-28-14-17-33-64(53)81-67(55)44-48)76-74(78-75)49-37-39-56-54-29-15-18-34-65(54)82-68(56)45-49)43-60(47-22-7-2-8-23-47)71(59)80-61-31-16-13-30-57(61)70-63(80)41-40-58-69-62(32-19-35-66(69)83-72(58)70)79(51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-45H
• InChIKey: YQIXZEFXRUAFBD-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 86.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.22
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine?

The IUPAC name of 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine (CID 167401810) is 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine.

What is the SMILES notation for 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine?

The canonical SMILES for 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine is c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4ccc32)cc1.

What is the InChIKey of 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine?

The InChIKey is YQIXZEFXRUAFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45N5O3/c1-5-20-46(21-6-1)59-42-50(75-77-73(48-36-38-55-53-28-14-17-33-64(53)81-67(55)44-48)76-74(78-75)49-37-39-56-54-29-15-18-34-65(54)82-68(56)45-49)43-60(47-22-7-2-8-23-47)71(59)80-61-31-16-13-30-57(61)70-63(80)41-40-58-69-62(32-19-35-66(69)83-72(58)70)79(51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-45H.

What are the key properties of 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine?

5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine has a molecular weight of 1064.22 g/mol, XLogP of 20.47, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-N,N-diphenyl-[1]benzofuro[3,2-c]carbazol-8-amine is sourced from PubChem (CID 167401810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).