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

C39H25N3O — CID 171607729

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c2)cc1
InChIInChI=1S/C39H25N3O/c1-3-11-26(12-4-1)30-15-9-16-31(25-30)27-21-23-29(24-22-27)38-40-37(28-13-5-2-6-14-28)41-39(42-38)33-18-10-20-35-36(33)32-17-7-8-19-34(32)43-35/h1-25H
InChIKeyPYVRZADGIBIUGS-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171607729) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID171607729
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c2)cc1
InChIInChI=1S/C39H25N3O/c1-3-11-26(12-4-1)30-15-9-16-31(25-30)27-21-23-29(24-22-27)38-40-37(28-13-5-2-6-14-28)41-39(42-38)33-18-10-20-35-36(33)32-17-7-8-19-34(32)43-35/h1-25H
InChIKeyPYVRZADGIBIUGS-UHFFFAOYSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
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-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 171607729) is 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is PYVRZADGIBIUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-3-11-26(12-4-1)30-15-9-16-31(25-30)27-21-23-29(24-22-27)38-40-37(28-13-5-2-6-14-28)41-39(42-38)33-18-10-20-35-36(33)32-17-7-8-19-34(32)43-35/h1-25H.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 551.65 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171607729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).