2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine

C46H29N3S2 — CID 146398203

IUPAC2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C46H29N3S2/c1-4-14-30(15-5-1)43-47-44(31-25-27-40-36(28-31)35-20-10-12-22-39(35)50-40)49-45(48-43)32-24-26-38-42(29-32)51-41-23-13-11-21-37(41)46(38,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-29H
InChIKeyPYNVPUZAKSKBDF-UHFFFAOYSA-N
MW687.89 g/mol
LogP12.09
Rot. Bonds5

About 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 146398203) has the molecular formula C46H29N3S2 and a molecular weight of 687.89 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID146398203
Molecular FormulaC46H29N3S2
Molecular Weight687.89 g/mol
Exact Mass687.18
IUPAC Name2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C46H29N3S2/c1-4-14-30(15-5-1)43-47-44(31-25-27-40-36(28-31)35-20-10-12-22-39(35)50-40)49-45(48-43)32-24-26-38-42(29-32)51-41-23-13-11-21-37(41)46(38,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-29H
InChIKeyPYNVPUZAKSKBDF-UHFFFAOYSA-N
XLogP12.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[4-[4-(9-phenylthioxanthen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 146388529
2-dibenzothiophen-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821280
CID 146184571
CID 146184571
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzothiole-11,9'-thioxanthene]-3'-ylpyrimidine
CID 167340557
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
4-[3-(2-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601971
4-(2-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171602266
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
4-dibenzothiophen-2-yl-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602945
2-dibenzothiophen-3-yl-4-[2-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166995808

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine (CID 146398203) is 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is PYNVPUZAKSKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S2/c1-4-14-30(15-5-1)43-47-44(31-25-27-40-36(28-31)35-20-10-12-22-39(35)50-40)49-45(48-43)32-24-26-38-42(29-32)51-41-23-13-11-21-37(41)46(38,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 687.89 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-(9,9-diphenylthioxanthen-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146398203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).