2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole

C101H64N12OS3 — CID 158350879

IUPAC2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
SMILESCc1cc(-c2cncc(-c3nc4ccccc4s3)c2)cc(-c2cncc(-c3nc4ccccc4s3)c2)c1.c1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)nc2c1.c1ccc2sc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)nc2c1
InChIInChI=1S/C35H22N4O.C35H22N4S.C31H20N4S2/c2*1-4-10-32-27(7-1)28-8-2-5-11-33(28)39(32)26-17-13-23(14-18-26)29-19-15-24(21-36-29)25-16-20-31(37-22-25)35-38-30-9-3-6-12-34(30)40-35;1-19-10-20(22-13-24(17-32-15-22)30-34-26-6-2-4-8-28(26)36-30)12-21(11-19)23-14-25(18-33-16-23)31-35-27-7-3-5-9-29(27)37-31/h2*1-22H;2-18H,1H3
InChIKeyGSHNURNGDVHNRK-UHFFFAOYSA-N
MW1557.91 g/mol
LogP26.57
Rot. Bonds12

About 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole

2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole (PubChem CID 158350879) has the molecular formula C101H64N12OS3 and a molecular weight of 1557.91 g/mol. Its IUPAC name is 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
PubChem CID158350879
Molecular FormulaC101H64N12OS3
Molecular Weight1557.91 g/mol
Exact Mass1556.45
IUPAC Name2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
SMILESCc1cc(-c2cncc(-c3nc4ccccc4s3)c2)cc(-c2cncc(-c3nc4ccccc4s3)c2)c1.c1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)nc2c1.c1ccc2sc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)nc2c1
InChIInChI=1S/C35H22N4O.C35H22N4S.C31H20N4S2/c2*1-4-10-32-27(7-1)28-8-2-5-11-33(28)39(32)26-17-13-23(14-18-26)29-19-15-24(21-36-29)25-16-20-31(37-22-25)35-38-30-9-3-6-12-34(30)40-35;1-19-10-20(22-13-24(17-32-15-22)30-34-26-6-2-4-8-28(26)36-30)12-21(11-19)23-14-25(18-33-16-23)31-35-27-7-3-5-9-29(27)37-31/h2*1-22H;2-18H,1H3
InChIKeyGSHNURNGDVHNRK-UHFFFAOYSA-N
XLogP26.57
TPSA151.90 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.91
LogP ≤ 526.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[3-(1,3-Benzothiazol-2-yl)-6-(1,3-benzoxazol-2-yl)carbazol-9-yl]-2-pyridinyl]-2,3,5,6-tetrafluorobenzonitrile
CID 155366212
2-[6-(1,3-Benzothiazol-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-3-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
CID 155645298
tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157820441
tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158259623
tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158281340
5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-methyl-1,3-thiazole;6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-2-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-2-methyl-1,3-oxazole;6-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 158679669
CID 159386640
CID 159386640
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole
CID 159630054
tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160059048
[1-[3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 160629614
2-(4-butylbenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160780496
3,5-diphenyl-2-phenylpyrazine;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160805450

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole (CID 158350879) is 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole is Cc1cc(-c2cncc(-c3nc4ccccc4s3)c2)cc(-c2cncc(-c3nc4ccccc4s3)c2)c1.c1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)nc2c1.c1ccc2sc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)nc2c1.
What is the InChIKey of 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
The InChIKey is GSHNURNGDVHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4O.C35H22N4S.C31H20N4S2/c2*1-4-10-32-27(7-1)28-8-2-5-11-33(28)39(32)26-17-13-23(14-18-26)29-19-15-24(21-36-29)25-16-20-31(37-22-25)35-38-30-9-3-6-12-34(30)40-35;1-19-10-20(22-13-24(17-32-15-22)30-34-26-6-2-4-8-28(26)36-30)12-21(11-19)23-14-25(18-33-16-23)31-35-27-7-3-5-9-29(27)37-31/h2*1-22H;2-18H,1H3.
What are the key properties of 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole has a molecular weight of 1557.91 g/mol, XLogP of 26.57, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[5-(1,3-benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 158350879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).