2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine

C54H35N3O — CID 146335798

IUPAC2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc3c2-c2ccccc2C3c2cccc3c2oc2cc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)ccc23)cc1
InChIInChI=1S/C54H35N3O/c1-2-14-35(15-3-1)41-20-10-22-46-49(41)43-18-8-9-19-44(43)50(46)47-23-11-21-45-42-29-28-40(32-48(42)58-51(45)47)54-56-52(38-26-24-33-12-4-6-16-36(33)30-38)55-53(57-54)39-27-25-34-13-5-7-17-37(34)31-39/h1-32,50,52H,(H,55,56,57)
InChIKeyLTVNGNQXEYORCP-UHFFFAOYSA-N
MW741.89 g/mol
LogP13.22
Rot. Bonds5

About 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 146335798) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID146335798
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc3c2-c2ccccc2C3c2cccc3c2oc2cc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)ccc23)cc1
InChIInChI=1S/C54H35N3O/c1-2-14-35(15-3-1)41-20-10-22-46-49(41)43-18-8-9-19-44(43)50(46)47-23-11-21-45-42-29-28-40(32-48(42)58-51(45)47)54-56-52(38-26-24-33-12-4-6-16-36(33)30-38)55-53(57-54)39-27-25-34-13-5-7-17-37(34)31-39/h1-32,50,52H,(H,55,56,57)
InChIKeyLTVNGNQXEYORCP-UHFFFAOYSA-N
XLogP13.22
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 513.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-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

4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 163568836
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
9-[6-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 163907995
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine (CID 146335798) is 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(-c2cccc3c2-c2ccccc2C3c2cccc3c2oc2cc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)ccc23)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is LTVNGNQXEYORCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-14-35(15-3-1)41-20-10-22-46-49(41)43-18-8-9-19-44(43)50(46)47-23-11-21-45-42-29-28-40(32-48(42)58-51(45)47)54-56-52(38-26-24-33-12-4-6-16-36(33)30-38)55-53(57-54)39-27-25-34-13-5-7-17-37(34)31-39/h1-32,50,52H,(H,55,56,57).
What are the key properties of 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 741.89 g/mol, XLogP of 13.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-[6-(4-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146335798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).