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

C53H35N3O — CID 167029607

IUPAC6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3N=C(c4ccccc4-c4cccc5oc6c(-c7ccccc7)cccc6c45)N=C(c4ccc5ccc6ccccc6c5c4)N3)cc2)cc1
InChIInChI=1S/C53H35N3O/c1-3-13-34(14-4-1)35-25-30-39(31-26-35)51-54-52(40-32-29-38-28-27-37-17-7-8-18-41(37)47(38)33-40)56-53(55-51)45-20-10-9-19-43(45)44-22-12-24-48-49(44)46-23-11-21-42(50(46)57-48)36-15-5-2-6-16-36/h1-33,51H,(H,54,55,56)
InChIKeyHGFHZMUDVNSFDN-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.39
Rot. Bonds6

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

6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 167029607) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID167029607
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3N=C(c4ccccc4-c4cccc5oc6c(-c7ccccc7)cccc6c45)N=C(c4ccc5ccc6ccccc6c5c4)N3)cc2)cc1
InChIInChI=1S/C53H35N3O/c1-3-13-34(14-4-1)35-25-30-39(31-26-35)51-54-52(40-32-29-38-28-27-37-17-7-8-18-41(37)47(38)33-40)56-53(55-51)45-20-10-9-19-43(45)44-22-12-24-48-49(44)46-23-11-21-42(50(46)57-48)36-15-5-2-6-16-36/h1-33,51H,(H,54,55,56)
InChIKeyHGFHZMUDVNSFDN-UHFFFAOYSA-N
XLogP13.39
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-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-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
4-(2-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248582
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170294237
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
4-phenanthren-9-yl-2-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167030279
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200

Frequently Asked Questions

What is the IUPAC name of 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 167029607) is 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3N=C(c4ccccc4-c4cccc5oc6c(-c7ccccc7)cccc6c45)N=C(c4ccc5ccc6ccccc6c5c4)N3)cc2)cc1.
What is the InChIKey of 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is HGFHZMUDVNSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-3-13-34(14-4-1)35-25-30-39(31-26-35)51-54-52(40-32-29-38-28-27-37-17-7-8-18-41(37)47(38)33-40)56-53(55-51)45-20-10-9-19-43(45)44-22-12-24-48-49(44)46-23-11-21-42(50(46)57-48)36-15-5-2-6-16-36/h1-33,51H,(H,54,55,56).
What are the key properties of 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 729.88 g/mol, XLogP of 13.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).