2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

C48H29N6O2- — CID 163990116

About 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 163990116) has the molecular formula C48H29N6O2- and a molecular weight of 721.80 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 163990116
• Molecular Formula: C48H29N6O2-
• Molecular Weight: 721.80 g/mol
• Exact Mass: 721.24
• IUPAC Name: 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc4oc5ccccc5c34)[N-]C(c3ccccc3)=N2)cc1
• InChI: InChI=1S/C48H29N6O2/c1-4-15-29(16-5-1)43-49-44(30-17-6-2-7-18-30)53-48(52-43)36-27-32(28-40-42(36)34-22-11-13-25-38(34)56-40)46-50-45(31-19-8-3-9-20-31)51-47(54-46)35-23-14-26-39-41(35)33-21-10-12-24-37(33)55-39/h1-28,48H/q-1
• InChIKey: TZWBSOPXPNKLQB-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 103.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.80
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (CID 163990116) is 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is c1ccc(C2=NC(c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc4oc5ccccc5c34)[N-]C(c3ccccc3)=N2)cc1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is TZWBSOPXPNKLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N6O2/c1-4-15-29(16-5-1)43-49-44(30-17-6-2-7-18-30)53-48(52-43)36-27-32(28-40-42(36)34-22-11-13-25-38(34)56-40)46-50-45(31-19-8-3-9-20-31)51-47(54-46)35-23-14-26-39-41(35)33-21-10-12-24-37(33)55-39/h1-28,48H/q-1.

What are the key properties of 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?

2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 721.80 g/mol, XLogP of 11.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163990116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).