2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C57H37N3O — CID 170279862

IUPAC2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=c2c(c3ccccc3c3ccccc23)=CC(c2cccc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc5c4c3)c2)C1
InChIInChI=1S/C57H37N3O/c1-3-13-36(14-4-1)38-17-12-20-43(32-38)56-58-55(37-15-5-2-6-16-37)59-57(60-56)44-26-29-50-52-34-42(27-30-53(52)61-54(50)35-44)40-19-11-18-39(31-40)41-25-28-49-47-23-8-7-21-45(47)46-22-9-10-24-48(46)51(49)33-41/h1-24,26-35,41H,25H2
InChIKeyWQSFORRXVILWPI-UHFFFAOYSA-N
MW779.94 g/mol
LogP13.16
Rot. Bonds6

About 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170279862) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170279862
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC Name2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=c2c(c3ccccc3c3ccccc23)=CC(c2cccc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc5c4c3)c2)C1
InChIInChI=1S/C57H37N3O/c1-3-13-36(14-4-1)38-17-12-20-43(32-38)56-58-55(37-15-5-2-6-16-37)59-57(60-56)44-26-29-50-52-34-42(27-30-53(52)61-54(50)35-44)40-19-11-18-39(31-40)41-25-28-49-47-23-8-7-21-45(47)46-22-9-10-24-48(46)51(49)33-41/h1-24,26-35,41H,25H2
InChIKeyWQSFORRXVILWPI-UHFFFAOYSA-N
XLogP13.16
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 513.16
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-dibenzofuran-3-yl-4-[8-(2,3-dihydrodibenzofuran-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 146544017
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407713
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-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 170279862) is 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is C1=c2c(c3ccccc3c3ccccc23)=CC(c2cccc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)ccc5c4c3)c2)C1.
What is the InChIKey of 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is WQSFORRXVILWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-3-13-36(14-4-1)38-17-12-20-43(32-38)56-58-55(37-15-5-2-6-16-37)59-57(60-56)44-26-29-50-52-34-42(27-30-53(52)61-54(50)35-44)40-19-11-18-39(31-40)41-25-28-49-47-23-8-7-21-45(47)46-22-9-10-24-48(46)51(49)33-41/h1-24,26-35,41H,25H2.
What are the key properties of 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 779.94 g/mol, XLogP of 13.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[3-(2,3-dihydrotriphenylen-2-yl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170279862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).