2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine

C44H31N3O2 — CID 134237864

IUPAC2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)ccc2-c2cc3c(cc21)OCC3
InChIInChI=1S/C44H31N3O2/c1-44(2)35-24-28(18-19-31(35)34-23-29-20-21-48-39(29)25-36(34)44)27-12-8-13-30(22-27)42-45-41(26-10-4-3-5-11-26)46-43(47-42)33-15-9-17-38-40(33)32-14-6-7-16-37(32)49-38/h3-19,22-25H,20-21H2,1-2H3
InChIKeyWLKDXTGAHFIISQ-UHFFFAOYSA-N
MW633.75 g/mol
LogP10.68
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 134237864) has the molecular formula C44H31N3O2 and a molecular weight of 633.75 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID134237864
Molecular FormulaC44H31N3O2
Molecular Weight633.75 g/mol
Exact Mass633.24
IUPAC Name2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)ccc2-c2cc3c(cc21)OCC3
InChIInChI=1S/C44H31N3O2/c1-44(2)35-24-28(18-19-31(35)34-23-29-20-21-48-39(29)25-36(34)44)27-12-8-13-30(22-27)42-45-41(26-10-4-3-5-11-26)46-43(47-42)33-15-9-17-38-40(33)32-14-6-7-16-37(32)49-38/h3-19,22-25H,20-21H2,1-2H3
InChIKeyWLKDXTGAHFIISQ-UHFFFAOYSA-N
XLogP10.68
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.75
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
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-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
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
2-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369396
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
4-dibenzofuran-1-yl-2-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-6-phenylpyrimidine
CID 176917153
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-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 134237864) is 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)ccc2-c2cc3c(cc21)OCC3.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is WLKDXTGAHFIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3O2/c1-44(2)35-24-28(18-19-31(35)34-23-29-20-21-48-39(29)25-36(34)44)27-12-8-13-30(22-27)42-45-41(26-10-4-3-5-11-26)46-43(47-42)33-15-9-17-38-40(33)32-14-6-7-16-37(32)49-38/h3-19,22-25H,20-21H2,1-2H3.
What are the key properties of 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 633.75 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[3-(9,9-dimethyl-2,3-dihydroindeno[1,2-f][1]benzofuran-7-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134237864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).