2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole

C31H21N3S — CID 118335132

IUPAC2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(N2c3ccccc3N(c3ccc(-c4nc5ccccc5s4)cc3)c3ccccc32)cc1
InChIInChI=1S/C31H21N3S/c1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)24-20-18-22(19-21-24)31-32-25-12-4-9-17-30(25)35-31/h1-21H
InChIKeyUWFWHJJWLRRHRB-UHFFFAOYSA-N
MW467.60 g/mol
LogP9.22
Rot. Bonds3

About 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole

2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole (PubChem CID 118335132) has the molecular formula C31H21N3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
PubChem CID118335132
Molecular FormulaC31H21N3S
Molecular Weight467.60 g/mol
Exact Mass467.15
IUPAC Name2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc(N2c3ccccc3N(c3ccc(-c4nc5ccccc5s4)cc3)c3ccccc32)cc1
InChIInChI=1S/C31H21N3S/c1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)24-20-18-22(19-21-24)31-32-25-12-4-9-17-30(25)35-31/h1-21H
InChIKeyUWFWHJJWLRRHRB-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-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 140607089
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-[3-(1,3-benzothiazol-2-yl)-5-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole
CID 164783470
10-[3-[2,4-bis[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-phenothiazin-10-ylphenyl)-5,6-diphenylphenyl]phenyl]phenothiazine
CID 164705957
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
[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane
CID 59576597
2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 118532503
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole (CID 118335132) is 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole is c1ccc(N2c3ccccc3N(c3ccc(-c4nc5ccccc5s4)cc3)c3ccccc32)cc1.
What is the InChIKey of 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The InChIKey is UWFWHJJWLRRHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3S/c1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)24-20-18-22(19-21-24)31-32-25-12-4-9-17-30(25)35-31/h1-21H.
What are the key properties of 2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole?
2-[4-(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-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 118335132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).