2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

C41H25N3O — CID 147818136

IUPAC2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5cc6ccccc6c6ccccc56)c34)n2)cc1
InChIInChI=1S/C41H25N3O/c1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)29-22-23-34-37(25-29)45-36-21-11-20-33(38(34)36)35-24-28-16-7-8-17-30(28)31-18-9-10-19-32(31)35/h1-25H
InChIKeyHOSCKOCVGTZEPY-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 147818136) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID147818136
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5cc6ccccc6c6ccccc56)c34)n2)cc1
InChIInChI=1S/C41H25N3O/c1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)29-22-23-34-37(25-29)45-36-21-11-20-33(38(34)36)35-24-28-16-7-8-17-30(28)31-18-9-10-19-32(31)35/h1-25H
InChIKeyHOSCKOCVGTZEPY-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine 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-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-(7-fluoranthen-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741022
2-phenanthren-9-yl-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798054
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741639
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165091111
2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797435
2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165084892
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 147818136) is 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5cc6ccccc6c6ccccc56)c34)n2)cc1.
What is the InChIKey of 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HOSCKOCVGTZEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-12-26(13-4-1)39-42-40(27-14-5-2-6-15-27)44-41(43-39)29-22-23-34-37(25-29)45-36-21-11-20-33(38(34)36)35-24-28-16-7-8-17-30(28)31-18-9-10-19-32(31)35/h1-25H.
What are the key properties of 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 147818136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).