2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

C62H41N5O — CID 154614226

About 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 154614226) has the molecular formula C62H41N5O and a molecular weight of 872.04 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 154614226
• Molecular Formula: C62H41N5O
• Molecular Weight: 872.04 g/mol
• Exact Mass: 871.33
• IUPAC Name: 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)c4)nc(-c4ccccc4)n3)ccc2-c2cc3ccccc3cc21
• InChI: InChI=1S/C62H41N5O/c1-62(2)52-35-45(27-29-48(52)51-33-42-19-9-10-20-43(42)34-53(51)62)55-37-54(63-58(64-55)38-15-5-3-6-16-38)44-23-13-21-40(31-44)41-22-14-24-46(32-41)60-65-59(39-17-7-4-8-18-39)66-61(67-60)47-28-30-50-49-25-11-12-26-56(49)68-57(50)36-47/h3-37H,1-2H3
• InChIKey: AZKBEIDKYYBIPG-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 77.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.04
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 154614226) is 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)c4)nc(-c4ccccc4)n3)ccc2-c2cc3ccccc3cc21.

What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is AZKBEIDKYYBIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N5O/c1-62(2)52-35-45(27-29-48(52)51-33-42-19-9-10-20-43(42)34-53(51)62)55-37-54(63-58(64-55)38-15-5-3-6-16-38)44-23-13-21-40(31-44)41-22-14-24-46(32-41)60-65-59(39-17-7-4-8-18-39)66-61(67-60)47-28-30-50-49-25-11-12-26-56(49)68-57(50)36-47/h3-37H,1-2H3.

What are the key properties of 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine?

2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 872.04 g/mol, XLogP of 15.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-4-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154614226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).