2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C33H22ClN3O — CID 170264704

IUPAC2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESClc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C33H22ClN3O/c34-25-19-17-24(18-20-25)32-35-31(23-15-13-22(14-16-23)21-7-2-1-3-8-21)36-33(37-32)27-10-6-12-29-30(27)26-9-4-5-11-28(26)38-29/h1-20,31H,(H,35,36,37)
InChIKeyBEMFCTPKROXZMU-UHFFFAOYSA-N
MW512.01 g/mol
LogP8.40
Rot. Bonds4

About 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170264704) has the molecular formula C33H22ClN3O and a molecular weight of 512.01 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID170264704
Molecular FormulaC33H22ClN3O
Molecular Weight512.01 g/mol
Exact Mass511.15
IUPAC Name2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESClc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C33H22ClN3O/c34-25-19-17-24(18-20-25)32-35-31(23-15-13-22(14-16-23)21-7-2-1-3-8-21)36-33(37-32)27-10-6-12-29-30(27)26-9-4-5-11-28(26)38-29/h1-20,31H,(H,35,36,37)
InChIKeyBEMFCTPKROXZMU-UHFFFAOYSA-N
XLogP8.40
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.01
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 118888315
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 170264704) is 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is Clc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3cccc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is BEMFCTPKROXZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClN3O/c34-25-19-17-24(18-20-25)32-35-31(23-15-13-22(14-16-23)21-7-2-1-3-8-21)36-33(37-32)27-10-6-12-29-30(27)26-9-4-5-11-28(26)38-29/h1-20,31H,(H,35,36,37).
What are the key properties of 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 512.01 g/mol, XLogP of 8.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170264704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).