2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C47H29N3O — CID 155481415

IUPAC2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4cc5ccccc5c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H29N3O/c1-2-13-30(14-3-1)31-25-27-32(28-26-31)45-48-46(50-47(49-45)41-23-12-22-39-38-20-10-11-24-43(38)51-44(39)41)40-21-9-8-19-37(40)42-29-33-15-4-5-16-34(33)35-17-6-7-18-36(35)42/h1-29H
InChIKeyPPKDNUNRSYAHSD-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 155481415) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID155481415
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4cc5ccccc5c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H29N3O/c1-2-13-30(14-3-1)31-25-27-32(28-26-31)45-48-46(50-47(49-45)41-23-12-22-39-38-20-10-11-24-43(38)51-44(39)41)40-21-9-8-19-37(40)42-29-33-15-4-5-16-34(33)35-17-6-7-18-36(35)42/h1-29H
InChIKeyPPKDNUNRSYAHSD-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-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-dibenzofuran-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155763929
2,4-di(dibenzofuran-4-yl)-6-(4-phenanthren-9-yl-2-phenylphenyl)-1,3,5-triazine
CID 163801076
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-dibenzofuran-4-yl-4-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393595
2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481357
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 167181780
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159168891

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 155481415) is 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4cc5ccccc5c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is PPKDNUNRSYAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-13-30(14-3-1)31-25-27-32(28-26-31)45-48-46(50-47(49-45)41-23-12-22-39-38-20-10-11-24-43(38)51-44(39)41)40-21-9-8-19-37(40)42-29-33-15-4-5-16-34(33)35-17-6-7-18-36(35)42/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155481415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).