trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane

C52H39N3OS — CID 176645302

IUPACtrimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane
SMILESCS(C)(C)c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5c(-c6ccccc6)oc6ccccc56)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C52H39N3OS/c1-57(2,3)47-33-32-43(41-22-12-13-23-44(41)47)42-31-30-38(39-20-10-11-21-40(39)42)34-26-28-37(29-27-34)51-53-50(36-18-8-5-9-19-36)54-52(55-51)48-45-24-14-15-25-46(45)56-49(48)35-16-6-4-7-17-35/h4-33H,1-3H3
InChIKeyZFCIORVXDYKBGC-UHFFFAOYSA-N
MW753.97 g/mol
LogP13.98
Rot. Bonds7

About trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane

trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane (PubChem CID 176645302) has the molecular formula C52H39N3OS and a molecular weight of 753.97 g/mol. Its IUPAC name is trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane
PubChem CID176645302
Molecular FormulaC52H39N3OS
Molecular Weight753.97 g/mol
Exact Mass753.28
IUPAC Nametrimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane
SMILESCS(C)(C)c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5c(-c6ccccc6)oc6ccccc56)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C52H39N3OS/c1-57(2,3)47-33-32-43(41-22-12-13-23-44(41)47)42-31-30-38(39-20-10-11-21-40(39)42)34-26-28-37(29-27-34)51-53-50(36-18-8-5-9-19-36)54-52(55-51)48-45-24-14-15-25-46(45)56-49(48)35-16-6-4-7-17-35/h4-33H,1-3H3
InChIKeyZFCIORVXDYKBGC-UHFFFAOYSA-N
XLogP13.98
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.97
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane 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-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 135233850
2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766284
2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171587269
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632187
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane?
The IUPAC name of trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane (CID 176645302) is trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane?
The canonical SMILES for trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane is CS(C)(C)c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5c(-c6ccccc6)oc6ccccc56)n4)cc3)c3ccccc23)c2ccccc12.
What is the InChIKey of trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane?
The InChIKey is ZFCIORVXDYKBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3OS/c1-57(2,3)47-33-32-43(41-22-12-13-23-44(41)47)42-31-30-38(39-20-10-11-21-40(39)42)34-26-28-37(29-27-34)51-53-50(36-18-8-5-9-19-36)54-52(55-51)48-45-24-14-15-25-46(45)56-49(48)35-16-6-4-7-17-35/h4-33H,1-3H3.
What are the key properties of trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane?
trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane has a molecular weight of 753.97 g/mol, XLogP of 13.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[4-[4-[4-phenyl-6-(2-phenyl-1-benzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]naphthalen-1-yl]-λ4-sulfane is sourced from PubChem (CID 176645302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).