2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine

C51H31N3O — CID 166952974

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)n3)cc2)cc1
InChIInChI=1S/C51H31N3O/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-27-29-46-45(31-37)48-38(20-11-21-47(48)55-46)36-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)44(43)30-36/h1-31H
InChIKeyJSSDGAKUKLZVBR-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 166952974) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
PubChem CID166952974
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)n3)cc2)cc1
InChIInChI=1S/C51H31N3O/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-27-29-46-45(31-37)48-38(20-11-21-47(48)55-46)36-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)44(43)30-36/h1-31H
InChIKeyJSSDGAKUKLZVBR-UHFFFAOYSA-N
XLogP13.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.57
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

2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-[8-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167167260
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2-dibenzofuran-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 157056344

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine (CID 166952974) is 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is JSSDGAKUKLZVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-27-29-46-45(31-37)48-38(20-11-21-47(48)55-46)36-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)44(43)30-36/h1-31H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 166952974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).