1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole

C22H15N3S — CID 122394961

IUPAC1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole
SMILESc1ccc(Sc2cccc3c4ccccc4n(-c4ncccn4)c23)cc1
InChIInChI=1S/C22H15N3S/c1-2-8-16(9-3-1)26-20-13-6-11-18-17-10-4-5-12-19(17)25(21(18)20)22-23-14-7-15-24-22/h1-15H
InChIKeySTTJPFRNYMPBIU-UHFFFAOYSA-N
MW353.45 g/mol
LogP5.72
Rot. Bonds3

About 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole

1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole (PubChem CID 122394961) has the molecular formula C22H15N3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole
PubChem CID122394961
Molecular FormulaC22H15N3S
Molecular Weight353.45 g/mol
Exact Mass353.10
IUPAC Name1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole
SMILESc1ccc(Sc2cccc3c4ccccc4n(-c4ncccn4)c23)cc1
InChIInChI=1S/C22H15N3S/c1-2-8-16(9-3-1)26-20-13-6-11-18-17-10-4-5-12-19(17)25(21(18)20)22-23-14-7-15-24-22/h1-15H
InChIKeySTTJPFRNYMPBIU-UHFFFAOYSA-N
XLogP5.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-(quinolin-8-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 16733036
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-indol-1-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 44398753
5-(biphenyl-4-yl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 45268325
7-Pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 66550966
7-Pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 66551165
3-(4-Fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine
CID 71544374
3-(2-chloropyrimidin-4-yl)-1-methyl-1H-indole
CID 59743595
4-(1-Methyl-1H-indol-3-yl)-5-(pyridin-4-yl)pyrimidin-2-amine
CID 44241599
7-(4-Methylsulfanyl-benzyl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44306076
4-(1-Methyl-1H-indol-3-yl)-5,50-bipyrimidin-2-amine
CID 45269116
[3-[(Dimethylamino)methyl]indol-1-yl]-phenothiazin-10-ylmethanone
CID 71517866
7-Benzyl-4-methyl-5-phenylsulfanylpyrrolo[2,3-d]pyrimidin-2-amine
CID 71524579

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole (CID 122394961) is 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole is c1ccc(Sc2cccc3c4ccccc4n(-c4ncccn4)c23)cc1.
What is the InChIKey of 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole?
The InChIKey is STTJPFRNYMPBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3S/c1-2-8-16(9-3-1)26-20-13-6-11-18-17-10-4-5-12-19(17)25(21(18)20)22-23-14-7-15-24-22/h1-15H.
What are the key properties of 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole?
1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole has a molecular weight of 353.45 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 122394961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).