2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine

C45H27N3O — CID 163651225

IUPAC2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C45H27N3O/c1-3-13-28(14-4-1)31-26-38-34-19-8-7-17-32(34)33-18-9-10-21-36(33)42(38)39(27-31)45-47-43(29-15-5-2-6-16-29)46-44(48-45)30-23-24-41-37(25-30)35-20-11-12-22-40(35)49-41/h1-27H
InChIKeyIMKNQLMYVWIQJI-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine (PubChem CID 163651225) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine
PubChem CID163651225
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C45H27N3O/c1-3-13-28(14-4-1)31-26-38-34-19-8-7-17-32(34)33-18-9-10-21-36(33)42(38)39(27-31)45-47-43(29-15-5-2-6-16-29)46-44(48-45)30-23-24-41-37(25-30)35-20-11-12-22-40(35)49-41/h1-27H
InChIKeyIMKNQLMYVWIQJI-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-di(dibenzofuran-2-yl)-6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-1,3,5-triazine
CID 137393567
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-[3-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158453576
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine (CID 163651225) is 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine?
The InChIKey is IMKNQLMYVWIQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-3-13-28(14-4-1)31-26-38-34-19-8-7-17-32(34)33-18-9-10-21-36(33)42(38)39(27-31)45-47-43(29-15-5-2-6-16-29)46-44(48-45)30-23-24-41-37(25-30)35-20-11-12-22-40(35)49-41/h1-27H.
What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine has a molecular weight of 625.73 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-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163651225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).