(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C53H35N3O — CID 142343037

IUPAC(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=N[C@H](c3cccc4oc5c(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)cc5c34)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C53H35N3O/c1-3-13-34(14-4-1)40-21-11-22-43(31-40)52-54-51(37-17-5-2-6-18-37)55-53(56-52)45-23-12-24-48-49(45)47-33-44(41-27-25-35-15-7-9-19-38(35)29-41)32-46(50(47)57-48)42-28-26-36-16-8-10-20-39(36)30-42/h1-33,53H,(H,54,55,56)/t53-/m0/s1
InChIKeyLEYFIOGPJVNGCR-DTSDQNDWSA-N
MW729.88 g/mol
LogP13.39
Rot. Bonds6

About (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine

(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 142343037) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID142343037
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=N[C@H](c3cccc4oc5c(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)cc5c34)N=C(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C53H35N3O/c1-3-13-34(14-4-1)40-21-11-22-43(31-40)52-54-51(37-17-5-2-6-18-37)55-53(56-52)45-23-12-24-48-49(45)47-33-44(41-27-25-35-15-7-9-19-38(35)29-41)32-46(50(47)57-48)42-28-26-36-16-8-10-20-39(36)30-42/h1-33,53H,(H,54,55,56)/t53-/m0/s1
InChIKeyLEYFIOGPJVNGCR-DTSDQNDWSA-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

Analyze (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-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-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030224
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 123180440
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156553938
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 142343037) is (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=N[C@H](c3cccc4oc5c(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)cc5c34)N=C(c3cccc(-c4ccccc4)c3)N2)cc1.
What is the InChIKey of (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is LEYFIOGPJVNGCR-DTSDQNDWSA-N. The full InChI is InChI=1S/C53H35N3O/c1-3-13-34(14-4-1)40-21-11-22-43(31-40)52-54-51(37-17-5-2-6-18-37)55-53(56-52)45-23-12-24-48-49(45)47-33-44(41-27-25-35-15-7-9-19-38(35)29-41)32-46(50(47)57-48)42-28-26-36-16-8-10-20-39(36)30-42/h1-33,53H,(H,54,55,56)/t53-/m0/s1.
What are the key properties of (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
(4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-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 (4S)-4-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 142343037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).