2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C44H29N3O2 — CID 174245071

IUPAC2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C44H29N3O2/c1-44(2)35-25-30(20-22-32(35)40-39(44)33-13-7-9-15-37(33)49-40)43-46-41(28-18-16-27(17-19-28)26-10-4-3-5-11-26)45-42(47-43)29-21-23-38-34(24-29)31-12-6-8-14-36(31)48-38/h3-25H,1-2H3
InChIKeyCNVCSVCAYAZASK-UHFFFAOYSA-N
MW631.74 g/mol
LogP11.49
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 174245071) has the molecular formula C44H29N3O2 and a molecular weight of 631.74 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID174245071
Molecular FormulaC44H29N3O2
Molecular Weight631.74 g/mol
Exact Mass631.23
IUPAC Name2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C44H29N3O2/c1-44(2)35-25-30(20-22-32(35)40-39(44)33-13-7-9-15-37(33)49-40)43-46-41(28-18-16-27(17-19-28)26-10-4-3-5-11-26)45-42(47-43)29-21-23-38-34(24-29)31-12-6-8-14-36(31)48-38/h3-25H,1-2H3
InChIKeyCNVCSVCAYAZASK-UHFFFAOYSA-N
XLogP11.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 156549410
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856909
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171583538
2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine
CID 156791075
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 174245071) is 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2oc3ccccc3c21.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is CNVCSVCAYAZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O2/c1-44(2)35-25-30(20-22-32(35)40-39(44)33-13-7-9-15-37(33)49-40)43-46-41(28-18-16-27(17-19-28)26-10-4-3-5-11-26)45-42(47-43)29-21-23-38-34(24-29)31-12-6-8-14-36(31)48-38/h3-25H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 631.74 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 174245071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).