2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)

C45H27N3OU — CID 163962459

IUPAC2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]cc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O.U/c1-4-12-30(13-5-1)33-20-22-34(23-21-33)43-46-44(35-24-25-40-39-18-10-11-19-41(39)49-42(40)29-35)48-45(47-43)38-27-36(31-14-6-2-7-15-31)26-37(28-38)32-16-8-3-9-17-32;/h1-12,14-20,22-29H;/q-2;+2
InChIKeyHGRGWTVHFTWWIB-UHFFFAOYSA-N
MW863.76 g/mol
LogP11.37
Rot. Bonds6

About 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)

2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+) (PubChem CID 163962459) has the molecular formula C45H27N3OU and a molecular weight of 863.76 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+).

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)
PubChem CID163962459
Molecular FormulaC45H27N3OU
Molecular Weight863.76 g/mol
Exact Mass863.27
IUPAC Name2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]cc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O.U/c1-4-12-30(13-5-1)33-20-22-34(23-21-33)43-46-44(35-24-25-40-39-18-10-11-19-41(39)49-42(40)29-35)48-45(47-43)38-27-36(31-14-6-2-7-15-31)26-37(28-38)32-16-8-3-9-17-32;/h1-12,14-20,22-29H;/q-2;+2
InChIKeyHGRGWTVHFTWWIB-UHFFFAOYSA-N
XLogP11.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.76
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 154934269
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)?
The IUPAC name of 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+) (CID 163962459) is 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+).
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+) is [U+2].[c-]1ccccc1-c1[c-]cc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)?
The InChIKey is HGRGWTVHFTWWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O.U/c1-4-12-30(13-5-1)33-20-22-34(23-21-33)43-46-44(35-24-25-40-39-18-10-11-19-41(39)49-42(40)29-35)48-45(47-43)38-27-36(31-14-6-2-7-15-31)26-37(28-38)32-16-8-3-9-17-32;/h1-12,14-20,22-29H;/q-2;+2.
What are the key properties of 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)?
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+) has a molecular weight of 863.76 g/mol, XLogP of 11.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+) is sourced from PubChem (CID 163962459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).