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

C25H16N2OS — CID 141250779

IUPAC2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol
SMILESOc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1-c1nc2ccccc2s1
InChIInChI=1S/C25H16N2OS/c28-22-13-12-15(14-19(22)25-27-21-10-3-4-11-23(21)29-25)16-7-5-8-18-17-6-1-2-9-20(17)26-24(16)18/h1-14,26,28H
InChIKeyDRJDRJXECZXPOB-UHFFFAOYSA-N
MW392.48 g/mol
LogP6.97
Rot. Bonds2

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

2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol (PubChem CID 141250779) 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-(9H-carbazol-1-yl)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol
PubChem CID141250779
Molecular FormulaC25H16N2OS
Molecular Weight392.48 g/mol
Exact Mass392.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol
SMILESOc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1-c1nc2ccccc2s1
InChIInChI=1S/C25H16N2OS/c28-22-13-12-15(14-19(22)25-27-21-10-3-4-11-23(21)29-25)16-7-5-8-18-17-6-1-2-9-20(17)26-24(16)18/h1-14,26,28H
InChIKeyDRJDRJXECZXPOB-UHFFFAOYSA-N
XLogP6.97
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole
CID 141250783
4-[3-(1,3-benzothiazol-2-yl)-2-hydroxyphenyl]benzene-1,2-diol
CID 176656530
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531
4-(1,3-benzothiazol-2-yl)-1H-quinoline-2-thione
CID 2512502
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol
CID 158526660
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
3-(1,3-benzothiazol-2-yl)-4-hydroxybenzoic acid
CID 141481149
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol (CID 141250779) is 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol is Oc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol?
The InChIKey is DRJDRJXECZXPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2OS/c28-22-13-12-15(14-19(22)25-27-21-10-3-4-11-23(21)29-25)16-7-5-8-18-17-6-1-2-9-20(17)26-24(16)18/h1-14,26,28H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol?
2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol has a molecular weight of 392.48 g/mol, XLogP of 6.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol is sourced from PubChem (CID 141250779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).