4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

C41H27N3O — CID 170289982

IUPAC4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(ccc5ccccc54)c3)N=C(c3cc(-c4ccccc4)cc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C41H27N3O/c1-3-11-26(12-4-1)31-24-35(38-34-17-9-10-18-36(34)45-37(38)25-31)41-43-39(28-14-5-2-6-15-28)42-40(44-41)30-21-22-33-29(23-30)20-19-27-13-7-8-16-32(27)33/h1-25,40H,(H,42,43,44)
InChIKeyDGOCBLNEAQBTPD-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.05
Rot. Bonds4

About 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170289982) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID170289982
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(ccc5ccccc54)c3)N=C(c3cc(-c4ccccc4)cc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C41H27N3O/c1-3-11-26(12-4-1)31-24-35(38-34-17-9-10-18-36(34)45-37(38)25-31)41-43-39(28-14-5-2-6-15-28)42-40(44-41)30-21-22-33-29(23-30)20-19-27-13-7-8-16-32(27)33/h1-25,40H,(H,42,43,44)
InChIKeyDGOCBLNEAQBTPD-UHFFFAOYSA-N
XLogP10.05
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
4-(4-phenanthren-2-ylphenyl)-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 176616944
4-(3-phenanthren-2-yldibenzofuran-1-yl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 167029899
4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246119
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (CID 170289982) is 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(ccc5ccccc54)c3)N=C(c3cc(-c4ccccc4)cc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is DGOCBLNEAQBTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-3-11-26(12-4-1)31-24-35(38-34-17-9-10-18-36(34)45-37(38)25-31)41-43-39(28-14-5-2-6-15-28)42-40(44-41)30-21-22-33-29(23-30)20-19-27-13-7-8-16-32(27)33/h1-25,40H,(H,42,43,44).
What are the key properties of 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 10.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170289982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).