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

C45H29N3O — CID 174327330

IUPAC2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-4-13-32(14-5-1)42-36(31-25-23-30(24-26-31)35-27-28-41-39(29-35)37-19-10-11-22-40(37)49-41)20-12-21-38(42)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29H
InChIKeyDHWOKACWLZNDIQ-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

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

2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 174327330) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID174327330
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-4-13-32(14-5-1)42-36(31-25-23-30(24-26-31)35-27-28-41-39(29-35)37-19-10-11-22-40(37)49-41)20-12-21-38(42)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29H
InChIKeyDHWOKACWLZNDIQ-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-2-yl-4-(2,3-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297262
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
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-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2,4-diphenyl-6-[4-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[2-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 160534670
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine (CID 174327330) is 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DHWOKACWLZNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-4-13-32(14-5-1)42-36(31-25-23-30(24-26-31)35-27-28-41-39(29-35)37-19-10-11-22-40(37)49-41)20-12-21-38(42)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29H.
What are the key properties of 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 174327330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).