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

C40H27N3O — CID 170927151

IUPAC2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(Cc6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C40H27N3O/c1-4-11-27(12-5-1)28-19-21-29(22-20-28)32-23-24-35-34(25-32)38-33(17-10-18-36(38)44-35)26-37-41-39(30-13-6-2-7-14-30)43-40(42-37)31-15-8-3-9-16-31/h1-25H,26H2
InChIKeySWAHVTVUAUEDJK-UHFFFAOYSA-N
MW565.68 g/mol
LogP10.03
Rot. Bonds6

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

2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine (PubChem CID 170927151) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
PubChem CID170927151
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(Cc6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C40H27N3O/c1-4-11-27(12-5-1)28-19-21-29(22-20-28)32-23-24-35-34(25-32)38-33(17-10-18-36(38)44-35)26-37-41-39(30-13-6-2-7-14-30)43-40(42-37)31-15-8-3-9-16-31/h1-25H,26H2
InChIKeySWAHVTVUAUEDJK-UHFFFAOYSA-N
XLogP10.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927310
2-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170927190
2-naphthalen-2-yl-4-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-6-phenyl-1,3,5-triazine
CID 170927092
2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927343
2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170926440
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
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
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine (CID 170927151) is 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4oc5cccc(Cc6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The InChIKey is SWAHVTVUAUEDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-4-11-27(12-5-1)28-19-21-29(22-20-28)32-23-24-35-34(25-32)38-33(17-10-18-36(38)44-35)26-37-41-39(30-13-6-2-7-14-30)43-40(42-37)31-15-8-3-9-16-31/h1-25H,26H2.
What are the key properties of 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine has a molecular weight of 565.68 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine is sourced from PubChem (CID 170927151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).