(5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol

C17H12BrNOS — CID 107964141

IUPAC(5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol
SMILESOC(c1csc(Br)c1)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H12BrNOS/c18-16-8-11(9-21-16)17(20)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h1-9,17,19-20H
InChIKeyMXIOOLMVDWGAJS-UHFFFAOYSA-N
MW358.26 g/mol
LogP5.23
Rot. Bonds2

About (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol

(5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol (PubChem CID 107964141) has the molecular formula C17H12BrNOS and a molecular weight of 358.26 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol
PubChem CID107964141
Molecular FormulaC17H12BrNOS
Molecular Weight358.26 g/mol
Exact Mass356.98
IUPAC Name(5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol
SMILESOC(c1csc(Br)c1)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H12BrNOS/c18-16-8-11(9-21-16)17(20)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h1-9,17,19-20H
InChIKeyMXIOOLMVDWGAJS-UHFFFAOYSA-N
XLogP5.23
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.26
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bromo-(5-bromothiophen-3-yl)methyl]-9H-carbazole
CID 107964647
(5-bromofuran-2-yl)-(9H-carbazol-3-yl)methanol
CID 61088854
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
9H-carbazol-3-yl-(5-methylfuran-2-yl)methanol
CID 61089235
3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole
CID 80645382
1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
2,2-bis(9H-carbazol-3-yl)acetamide
CID 171509526
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
1-(9H-carbazol-3-yl)-4-methylpentan-1-ol
CID 61088469
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
CID 171882250
methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
CID 117390881

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol (CID 107964141) is (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol is OC(c1csc(Br)c1)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol?
The InChIKey is MXIOOLMVDWGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNOS/c18-16-8-11(9-21-16)17(20)10-5-6-15-13(7-10)12-3-1-2-4-14(12)19-15/h1-9,17,19-20H.
What are the key properties of (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol?
(5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol has a molecular weight of 358.26 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(9H-carbazol-3-yl)methanol is sourced from PubChem (CID 107964141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).