2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole

C31H21N3S — CID 140607089

IUPAC2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(N2c3ccccc3N(c3cccc(-c4nc5ccccc5s4)c3)c3ccccc32)cc1
InChIInChI=1S/C31H21N3S/c1-2-12-23(13-3-1)33-26-16-5-7-18-28(26)34(29-19-8-6-17-27(29)33)24-14-10-11-22(21-24)31-32-25-15-4-9-20-30(25)35-31/h1-21H
InChIKeyNIOZTDQXPTVKPQ-UHFFFAOYSA-N
MW467.60 g/mol
LogP9.22
Rot. Bonds3

About 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole

2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole (PubChem CID 140607089) has the molecular formula C31H21N3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
PubChem CID140607089
Molecular FormulaC31H21N3S
Molecular Weight467.60 g/mol
Exact Mass467.15
IUPAC Name2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(N2c3ccccc3N(c3cccc(-c4nc5ccccc5s4)c3)c3ccccc32)cc1
InChIInChI=1S/C31H21N3S/c1-2-12-23(13-3-1)33-26-16-5-7-18-28(26)34(29-19-8-6-17-27(29)33)24-14-10-11-22(21-24)31-32-25-15-4-9-20-30(25)35-31/h1-21H
InChIKeyNIOZTDQXPTVKPQ-UHFFFAOYSA-N
XLogP9.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.60
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
10-[3-[2,4-bis[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-phenothiazin-10-ylphenyl)-5,6-diphenylphenyl]phenyl]phenothiazine
CID 164705957
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[3-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole
CID 129148175
2-[3-(1,3-benzothiazol-2-yl)-5-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole
CID 164783470
2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 160845402
2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 164705919
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole
CID 160868466

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole (CID 140607089) is 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole is c1ccc(N2c3ccccc3N(c3cccc(-c4nc5ccccc5s4)c3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The InChIKey is NIOZTDQXPTVKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3S/c1-2-12-23(13-3-1)33-26-16-5-7-18-28(26)34(29-19-8-6-17-27(29)33)24-14-10-11-22(21-24)31-32-25-15-4-9-20-30(25)35-31/h1-21H.
What are the key properties of 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole has a molecular weight of 467.60 g/mol, XLogP of 9.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 140607089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).