(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine

C27H18ClN3O — CID 146489534

IUPAC(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESClC1=N[C@H](c2cccc(-c3cccc4c3oc3ccccc34)c2)N=C(c2ccccc2)N1
InChIInChI=1S/C27H18ClN3O/c28-27-30-25(17-8-2-1-3-9-17)29-26(31-27)19-11-6-10-18(16-19)20-13-7-14-22-21-12-4-5-15-23(21)32-24(20)22/h1-16,26H,(H,29,30,31)/t26-/m1/s1
InChIKeyLQMXVGSJMCYGIJ-AREMUKBSSA-N
MW435.91 g/mol
LogP6.90
Rot. Bonds3

About (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine

(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 146489534) has the molecular formula C27H18ClN3O and a molecular weight of 435.91 g/mol. Its IUPAC name is (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID146489534
Molecular FormulaC27H18ClN3O
Molecular Weight435.91 g/mol
Exact Mass435.11
IUPAC Name(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESClC1=N[C@H](c2cccc(-c3cccc4c3oc3ccccc34)c2)N=C(c2ccccc2)N1
InChIInChI=1S/C27H18ClN3O/c28-27-30-25(17-8-2-1-3-9-17)29-26(31-27)19-11-6-10-18(16-19)20-13-7-14-22-21-12-4-5-15-23(21)32-24(20)22/h1-16,26H,(H,29,30,31)/t26-/m1/s1
InChIKeyLQMXVGSJMCYGIJ-AREMUKBSSA-N
XLogP6.90
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 118888315
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
2-dibenzothiophen-3-yl-6-phenyl-4-(6-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 146407770
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole
CID 129238529
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146321898
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246119
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484

Frequently Asked Questions

What is the IUPAC name of (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 146489534) is (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine is ClC1=N[C@H](c2cccc(-c3cccc4c3oc3ccccc34)c2)N=C(c2ccccc2)N1.
What is the InChIKey of (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is LQMXVGSJMCYGIJ-AREMUKBSSA-N. The full InChI is InChI=1S/C27H18ClN3O/c28-27-30-25(17-8-2-1-3-9-17)29-26(31-27)19-11-6-10-18(16-19)20-13-7-14-22-21-12-4-5-15-23(21)32-24(20)22/h1-16,26H,(H,29,30,31)/t26-/m1/s1.
What are the key properties of (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine?
(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 435.91 g/mol, XLogP of 6.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146489534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).