2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine

C45H29N3O — CID 171414823

IUPAC2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C45H29N3O/c1-4-13-30(14-5-1)33-19-12-20-35(27-33)43-46-44(48-45(47-43)38-22-11-10-21-37(38)32-17-8-3-9-18-32)36-24-26-42-40(29-36)39-28-34(23-25-41(39)49-42)31-15-6-2-7-16-31/h1-29H
InChIKeyXEQDBKHJHIOGPB-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine

2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 171414823) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID171414823
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C45H29N3O/c1-4-13-30(14-5-1)33-19-12-20-35(27-33)43-46-44(48-45(47-43)38-22-11-10-21-37(38)32-17-8-3-9-18-32)36-24-26-42-40(29-36)39-28-34(23-25-41(39)49-42)31-15-6-2-7-16-31/h1-29H
InChIKeyXEQDBKHJHIOGPB-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052348
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262

Frequently Asked Questions

What is the IUPAC name of 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 171414823) is 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XEQDBKHJHIOGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-4-13-30(14-5-1)33-19-12-20-35(27-33)43-46-44(48-45(47-43)38-22-11-10-21-37(38)32-17-8-3-9-18-32)36-24-26-42-40(29-36)39-28-34(23-25-41(39)49-42)31-15-6-2-7-16-31/h1-29H.
What are the key properties of 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171414823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).