2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C122H81N11O4 — CID 158004168

About 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 158004168) has the molecular formula C122H81N11O4 and a molecular weight of 1765.06 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 158004168
• Molecular Formula: C122H81N11O4
• Molecular Weight: 1765.06 g/mol
• Exact Mass: 1763.65
• IUPAC Name: 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ncccn4)nc(-c4cccc5ccccc45)n3)cc3oc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc4c3c21.CC1(C)c2ccccc2-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc4c3c21
• InChI: InChI=1S/C42H27N3O2.C42H29N3O.C38H25N5O/c1-42(2)31-16-8-6-13-26(31)27-21-22-34-37(38(27)42)29-20-19-25(23-35(29)47-34)40-43-39(24-11-4-3-5-12-24)44-41(45-40)30-15-10-18-33-36(30)28-14-7-9-17-32(28)46-33;1-42(2)34-19-10-9-18-31(34)32-22-23-35-37(38(32)42)33-21-20-30(25-36(33)46-35)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(24-29)26-12-5-3-6-13-26;1-38(2)28-17-7-5-14-25(28)31-27(21-30-32(33(31)38)26-15-6-8-18-29(26)44-30)35-41-34(42-37(43-35)36-39-19-10-20-40-36)24-16-9-12-22-11-3-4-13-23(22)24/h3-23H,1-2H3;3-25H,1-2H3;3-21H,1-2H3
• InChIKey: FEBXEZJJJZCRKC-UHFFFAOYSA-N
• XLogP: 30.74
• TPSA: 194.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.06
LogP ≤ 5	30.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 158004168) is 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ncccn4)nc(-c4cccc5ccccc45)n3)cc3oc4ccccc4c3c21.CC1(C)c2ccccc2-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc4c3c21.CC1(C)c2ccccc2-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc4c3c21.

What is the InChIKey of 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is FEBXEZJJJZCRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O2.C42H29N3O.C38H25N5O/c1-42(2)31-16-8-6-13-26(31)27-21-22-34-37(38(27)42)29-20-19-25(23-35(29)47-34)40-43-39(24-11-4-3-5-12-24)44-41(45-40)30-15-10-18-33-36(30)28-14-7-9-17-32(28)46-33;1-42(2)34-19-10-9-18-31(34)32-22-23-35-37(38(32)42)33-21-20-30(25-36(33)46-35)41-44-39(27-14-7-4-8-15-27)43-40(45-41)29-17-11-16-28(24-29)26-12-5-3-6-13-26;1-38(2)28-17-7-5-14-25(28)31-27(21-30-32(33(31)38)26-15-6-8-18-29(26)44-30)35-41-34(42-37(43-35)36-39-19-10-20-40-36)24-16-9-12-22-11-3-4-13-23(22)24/h3-23H,1-2H3;3-25H,1-2H3;3-21H,1-2H3.

What are the key properties of 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1765.06 g/mol, XLogP of 30.74, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-pyrimidin-2-yl-1,3,5-triazine;2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158004168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).