2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine

C57H46N6O — CID 170567750

About 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170567750) has the molecular formula C57H46N6O and a molecular weight of 831.04 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 170567750
• Molecular Formula: C57H46N6O
• Molecular Weight: 831.04 g/mol
• Exact Mass: 830.37
• IUPAC Name: 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2C(C)(C)C1(C)C
• InChI: InChI=1S/C57H46N6O/c1-55(2)45-33-43(53-60-49(36-22-12-8-13-23-36)58-51(62-53)39-27-18-26-38(32-39)35-20-10-7-11-21-35)44(34-46(45)56(3,4)57(55,5)6)54-61-50(37-24-14-9-15-25-37)59-52(63-54)42-30-19-29-41-40-28-16-17-31-47(40)64-48(41)42/h7-34H,1-6H3
• InChIKey: CHDVIMDCJMCKTN-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.04
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine (CID 170567750) is 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2C(C)(C)C1(C)C.

What is the InChIKey of 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is CHDVIMDCJMCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N6O/c1-55(2)45-33-43(53-60-49(36-22-12-8-13-23-36)58-51(62-53)39-27-18-26-38(32-39)35-20-10-7-11-21-35)44(34-46(45)56(3,4)57(55,5)6)54-61-50(37-24-14-9-15-25-37)59-52(63-54)42-30-19-29-41-40-28-16-17-31-47(40)64-48(41)42/h7-34H,1-6H3.

What are the key properties of 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine?

2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 831.04 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).