2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole

C36H23N5OS — CID 167345772

IUPAC2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole
SMILESc1cc(Oc2ccc3c4ccccc4n(-c4nccs4)c3c2)cc(-n2cc(-n3c4ccccc4c4ccccc43)cn2)c1
InChIInChI=1S/C36H23N5OS/c1-4-13-32-28(10-1)29-11-2-5-14-33(29)40(32)25-22-38-39(23-25)24-8-7-9-26(20-24)42-27-16-17-31-30-12-3-6-15-34(30)41(35(31)21-27)36-37-18-19-43-36/h1-23H
InChIKeyCVLNIEFZPUFFMT-UHFFFAOYSA-N
MW573.68 g/mol
LogP9.32
Rot. Bonds5

About 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole

2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole (PubChem CID 167345772) has the molecular formula C36H23N5OS and a molecular weight of 573.68 g/mol. Its IUPAC name is 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole
PubChem CID167345772
Molecular FormulaC36H23N5OS
Molecular Weight573.68 g/mol
Exact Mass573.16
IUPAC Name2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole
SMILESc1cc(Oc2ccc3c4ccccc4n(-c4nccs4)c3c2)cc(-n2cc(-n3c4ccccc4c4ccccc43)cn2)c1
InChIInChI=1S/C36H23N5OS/c1-4-13-32-28(10-1)29-11-2-5-14-33(29)40(32)25-22-38-39(23-25)24-8-7-9-26(20-24)42-27-16-17-31-30-12-3-6-15-34(30)41(35(31)21-27)36-37-18-19-43-36/h1-23H
InChIKeyCVLNIEFZPUFFMT-UHFFFAOYSA-N
XLogP9.32
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.68
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US10457677, Example 47
CID 122589410
2-[3-[4-[2,6-Bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153414725
2-[3-[4-[(4R,6S)-2,6-dimethyl-4-methylsulfanylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153416589
5,10-Bis(4-fluoro-2-pyridinyl)-2,7-bis(3-pyrazol-1-ylphenoxy)indolo[3,2-b]indole
CID 154592381
2-[3-[4-[(1S,6S)-2,6-dimethyl-4-methylsulfanylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 161339471
2-[6-[3-[2-(4-methoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]-5H-imidazo[1,2-a]pyridin-6-yl]-1,3-thiazole
CID 68811896
2-[3-(4-Phenylpyrazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 86343224
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-phenylpyridin-2-yl)-9H-carbazole
CID 86343980
9-(4-(9H-carbazol-9-yl)pyridin-2-yl)-2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9H-carbazole
CID 86344163
[2-[3-Phenyl-6-(pyridin-3-ylmethoxy)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910770
N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine
CID 91353474
N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 91509668

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole (CID 167345772) is 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole is c1cc(Oc2ccc3c4ccccc4n(-c4nccs4)c3c2)cc(-n2cc(-n3c4ccccc4c4ccccc43)cn2)c1.
What is the InChIKey of 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole?
The InChIKey is CVLNIEFZPUFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5OS/c1-4-13-32-28(10-1)29-11-2-5-14-33(29)40(32)25-22-38-39(23-25)24-8-7-9-26(20-24)42-27-16-17-31-30-12-3-6-15-34(30)41(35(31)21-27)36-37-18-19-43-36/h1-23H.
What are the key properties of 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole?
2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole has a molecular weight of 573.68 g/mol, XLogP of 9.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-carbazol-9-ylpyrazol-1-yl)phenoxy]carbazol-9-yl]-1,3-thiazole is sourced from PubChem (CID 167345772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).