2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol

C25H16N2OS — CID 136748852

IUPAC2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol
SMILESOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1nc2ccccc2s1
InChIInChI=1S/C25H16N2OS/c28-23-14-13-16(15-19(23)25-26-20-9-3-6-12-24(20)29-25)27-21-10-4-1-7-17(21)18-8-2-5-11-22(18)27/h1-15,28H
InChIKeyUJQJJZMDIMEPAO-UHFFFAOYSA-N
MW392.48 g/mol
LogP6.77
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol

2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol (PubChem CID 136748852) has the molecular formula C25H16N2OS and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol
PubChem CID136748852
Molecular FormulaC25H16N2OS
Molecular Weight392.48 g/mol
Exact Mass392.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol
SMILESOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1nc2ccccc2s1
InChIInChI=1S/C25H16N2OS/c28-23-14-13-16(15-19(23)25-26-20-9-3-6-12-24(20)29-25)27-21-10-4-1-7-17(21)18-8-2-5-11-22(18)27/h1-15,28H
InChIKeyUJQJJZMDIMEPAO-UHFFFAOYSA-N
XLogP6.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2'-Hydroxyphenyl)benzothiazole
CID 18874
4-Amino-2-(1,3-benzothiazol-2-yl)phenol
CID 738658
2-(Bis(1,3-benzothiazol-2-ylthio)methyl)phenol
CID 241878
2-(2-Benzo[d]thiazolyl)-4-nitrophenol
CID 234665
2(2'-Hydroxy-5'-(phenyl)ureylenphenyl) benzothiazole
CID 135742005
4-[4-Benzothiazol-2-yl-2-(4-hydroxyphenyl)butan-2-yl]phenol
CID 234772
2-(1,3-Benzothiazol-2-ylmethyl)phenol
CID 5272163
Bis(2-(2-hydroxyphenyl)benzothiazolate)
CID 21707781
2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium)
CID 138753339
2-[(E)-{[4-(1,3-Benzothiazol-2-YL)phenyl]imino}methyl]phenol
CID 402449
2-[(E)-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]phenol
CID 136239355
2-(1,3-Benzothiazol-2-YL)-4-[(E)-(phenylmethylidene)amino]phenol
CID 4136459

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol (CID 136748852) is 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol is Oc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol?
The InChIKey is UJQJJZMDIMEPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2OS/c28-23-14-13-16(15-19(23)25-26-20-9-3-6-12-24(20)29-25)27-21-10-4-1-7-17(21)18-8-2-5-11-22(18)27/h1-15,28H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol?
2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol has a molecular weight of 392.48 g/mol, XLogP of 6.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-carbazol-9-ylphenol is sourced from PubChem (CID 136748852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).