3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide

C39H24N4O2S — CID 169131778

IUPAC3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc21
InChIInChI=1S/C39H24N4O2S/c44-46(45)35-20-9-6-17-31(35)32-22-21-27(24-36(32)46)39-41-37(25-11-2-1-3-12-25)40-38(42-39)26-13-10-14-28(23-26)43-33-18-7-4-15-29(33)30-16-5-8-19-34(30)43/h1-24H
InChIKeyDROKWARCFAYYDB-UHFFFAOYSA-N
MW612.71 g/mol
LogP8.78
Rot. Bonds4

About 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide

3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide (PubChem CID 169131778) has the molecular formula C39H24N4O2S and a molecular weight of 612.71 g/mol. Its IUPAC name is 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
PubChem CID169131778
Molecular FormulaC39H24N4O2S
Molecular Weight612.71 g/mol
Exact Mass612.16
IUPAC Name3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc21
InChIInChI=1S/C39H24N4O2S/c44-46(45)35-20-9-6-17-31(35)32-22-21-27(24-36(32)46)39-41-37(25-11-2-1-3-12-25)40-38(42-39)26-13-10-14-28(23-26)43-33-18-7-4-15-29(33)30-16-5-8-19-34(30)43/h1-24H
InChIKeyDROKWARCFAYYDB-UHFFFAOYSA-N
XLogP8.78
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.71
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901415
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide?
The IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide (CID 169131778) is 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide?
The canonical SMILES for 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc21.
What is the InChIKey of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide?
The InChIKey is DROKWARCFAYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O2S/c44-46(45)35-20-9-6-17-31(35)32-22-21-27(24-36(32)46)39-41-37(25-11-2-1-3-12-25)40-38(42-39)26-13-10-14-28(23-26)43-33-18-7-4-15-29(33)30-16-5-8-19-34(30)43/h1-24H.
What are the key properties of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide?
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide has a molecular weight of 612.71 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 169131778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).