7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole

C42H27N5O2 — CID 176756182

IUPAC7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)c1
InChIInChI=1S/C42H27N5O2/c1-24-21-25(2)23-26(22-24)41-43-33-17-10-16-32(38(33)49-41)40-44-39(31-15-9-14-30-29-13-5-8-20-36(29)48-37(30)31)45-42(46-40)47-34-18-6-3-11-27(34)28-12-4-7-19-35(28)47/h3-23H,1-2H3
InChIKeyAXDRQLZUDVUFEG-UHFFFAOYSA-N
MW633.71 g/mol
LogP10.63
Rot. Bonds4

About 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole

7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole (PubChem CID 176756182) has the molecular formula C42H27N5O2 and a molecular weight of 633.71 g/mol. Its IUPAC name is 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
PubChem CID176756182
Molecular FormulaC42H27N5O2
Molecular Weight633.71 g/mol
Exact Mass633.22
IUPAC Name7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
SMILESCc1cc(C)cc(-c2nc3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)c1
InChIInChI=1S/C42H27N5O2/c1-24-21-25(2)23-26(22-24)41-43-33-17-10-16-32(38(33)49-41)40-44-39(31-15-9-14-30-29-13-5-8-20-36(29)48-37(30)31)45-42(46-40)47-34-18-6-3-11-27(34)28-12-4-7-19-35(28)47/h3-23H,1-2H3
InChIKeyAXDRQLZUDVUFEG-UHFFFAOYSA-N
XLogP10.63
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.71
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 176756191
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 176756221
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 166583497
7-[12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzoxazole
CID 166583457
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The IUPAC name of 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole (CID 176756182) is 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The canonical SMILES for 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole is Cc1cc(C)cc(-c2nc3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)c1.
What is the InChIKey of 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
The InChIKey is AXDRQLZUDVUFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5O2/c1-24-21-25(2)23-26(22-24)41-43-33-17-10-16-32(38(33)49-41)40-44-39(31-15-9-14-30-29-13-5-8-20-36(29)48-37(30)31)45-42(46-40)47-34-18-6-3-11-27(34)28-12-4-7-19-35(28)47/h3-23H,1-2H3.
What are the key properties of 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole?
7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole has a molecular weight of 633.71 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 176756182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).