2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine

C46H31N3S — CID 146388529

IUPAC2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6Sc6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C46H31N3S/c1-4-14-34(15-5-1)43-47-44(35-16-6-2-7-17-35)49-45(48-43)36-26-24-32(25-27-36)33-28-30-38(31-29-33)46(37-18-8-3-9-19-37)39-20-10-12-22-41(39)50-42-23-13-11-21-40(42)46/h1-31H
InChIKeyGMDHYAUHHWUTEI-UHFFFAOYSA-N
MW657.84 g/mol
LogP11.39
Rot. Bonds6

About 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 146388529) has the molecular formula C46H31N3S and a molecular weight of 657.84 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine
PubChem CID146388529
Molecular FormulaC46H31N3S
Molecular Weight657.84 g/mol
Exact Mass657.22
IUPAC Name2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6Sc6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C46H31N3S/c1-4-14-34(15-5-1)43-47-44(35-16-6-2-7-17-35)49-45(48-43)36-26-24-32(25-27-36)33-28-30-38(31-29-33)46(37-18-8-3-9-19-37)39-20-10-12-22-41(39)50-42-23-13-11-21-40(42)46/h1-31H
InChIKeyGMDHYAUHHWUTEI-UHFFFAOYSA-N
XLogP11.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.84
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-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-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-[3-[3-[9-[3-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]thioxanthen-9-yl]phenyl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886322
8-[4-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]thioxanthen-9-yl]phenyl]isoquinoline
CID 164793220
2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine
CID 146398203
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
2-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146494909
2-[4-(9,9-diphenylthioxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146398139
8-[3-[9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]thioxanthen-9-yl]phenyl]quinoline
CID 146547967
2-phenyl-4-[3-(9-phenylthioxanthen-9-yl)phenyl]quinazoline
CID 139307622
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 155767852

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine (CID 146388529) is 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6Sc6ccccc65)cc4)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is GMDHYAUHHWUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3S/c1-4-14-34(15-5-1)43-47-44(35-16-6-2-7-17-35)49-45(48-43)36-26-24-32(25-27-36)33-28-30-38(31-29-33)46(37-18-8-3-9-19-37)39-20-10-12-22-41(39)50-42-23-13-11-21-40(42)46/h1-31H.
What are the key properties of 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 657.84 g/mol, XLogP of 11.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 146388529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).