2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

C46H31N3O — CID 170680810

IUPAC2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C46H31N3O/c1-46(2)38-26-32(20-22-35(38)37-24-30-16-9-10-17-31(30)25-39(37)46)44-47-43(29-14-7-4-8-15-29)48-45(49-44)33-21-23-36-41(27-33)50-40-19-11-18-34(42(36)40)28-12-5-3-6-13-28/h3-27H,1-2H3
InChIKeyOARBDBQXRQPULF-UHFFFAOYSA-N
MW641.77 g/mol
LogP11.90
Rot. Bonds4

About 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 170680810) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID170680810
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C46H31N3O/c1-46(2)38-26-32(20-22-35(38)37-24-30-16-9-10-17-31(30)25-39(37)46)44-47-43(29-14-7-4-8-15-29)48-45(49-44)33-21-23-36-41(27-33)50-40-19-11-18-34(42(36)40)28-12-5-3-6-13-28/h3-27H,1-2H3
InChIKeyOARBDBQXRQPULF-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680970
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681249
2,4-di(dibenzofuran-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165090742
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680854
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681105
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217923
2-(9,9-dimethylfluoren-3-yl)-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 170680861
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
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 170680810) is 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is OARBDBQXRQPULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-46(2)38-26-32(20-22-35(38)37-24-30-16-9-10-17-31(30)25-39(37)46)44-47-43(29-14-7-4-8-15-29)48-45(49-44)33-21-23-36-41(27-33)50-40-19-11-18-34(42(36)40)28-12-5-3-6-13-28/h3-27H,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 641.77 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 170680810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).