2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole

C34H20BrN5S — CID 138474055

IUPAC2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc6c7ccccc7[nH]c6c5s4)cc3)n2)c1
InChIInChI=1S/C34H20BrN5S/c35-24-10-6-9-23(19-24)33-39-31(20-7-2-1-3-8-20)38-32(40-33)21-13-15-22(16-14-21)34-37-28-18-17-26-25-11-4-5-12-27(25)36-29(26)30(28)41-34/h1-19,36H
InChIKeyIQYHDXIQKVTVQL-UHFFFAOYSA-N
MW610.54 g/mol
LogP9.55
Rot. Bonds4

About 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole

2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole (PubChem CID 138474055) has the molecular formula C34H20BrN5S and a molecular weight of 610.54 g/mol. Its IUPAC name is 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole.

Molecular Properties

Compound Name2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
PubChem CID138474055
Molecular FormulaC34H20BrN5S
Molecular Weight610.54 g/mol
Exact Mass609.06
IUPAC Name2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
SMILESBrc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc6c7ccccc7[nH]c6c5s4)cc3)n2)c1
InChIInChI=1S/C34H20BrN5S/c35-24-10-6-9-23(19-24)33-39-31(20-7-2-1-3-8-20)38-32(40-33)21-13-15-22(16-14-21)34-37-28-18-17-26-25-11-4-5-12-27(25)36-29(26)30(28)41-34/h1-19,36H
InChIKeyIQYHDXIQKVTVQL-UHFFFAOYSA-N
XLogP9.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.54
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole;2-phenyl-10H-[1,3]thiazolo[5,4-a]carbazole
CID 158691186
2-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzothiazole
CID 138633562
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole
CID 159027944
2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
CID 144788185
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole
CID 138474090
5-bromo-2-phenylnaphtho[1,2-g][1,3]benzothiazole
CID 174295877
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzothiazole
CID 138636119
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155757967
2-[4-[3-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155758053
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzothiazole
CID 156556062

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
The IUPAC name of 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole (CID 138474055) is 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole.
What is the SMILES notation for 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
The canonical SMILES for 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccc6c7ccccc7[nH]c6c5s4)cc3)n2)c1.
What is the InChIKey of 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
The InChIKey is IQYHDXIQKVTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20BrN5S/c35-24-10-6-9-23(19-24)33-39-31(20-7-2-1-3-8-20)38-32(40-33)21-13-15-22(16-14-21)34-37-28-18-17-26-25-11-4-5-12-27(25)36-29(26)30(28)41-34/h1-19,36H.
What are the key properties of 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole has a molecular weight of 610.54 g/mol, XLogP of 9.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole is sourced from PubChem (CID 138474055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).