1H-indol-3-yl(10H-phenothiazin-3-yl)methanone

C21H14N2OS — CID 71517525

IUPAC1H-indol-3-yl(10H-phenothiazin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)Sc1ccccc1N2)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N2OS/c24-21(15-12-22-16-6-2-1-5-14(15)16)13-9-10-18-20(11-13)25-19-8-4-3-7-17(19)23-18/h1-12,22-23H
InChIKeyUSOZNBLGPLPNJJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.61
Rot. Bonds2

About 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone

1H-indol-3-yl(10H-phenothiazin-3-yl)methanone (PubChem CID 71517525) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(10H-phenothiazin-3-yl)methanone
PubChem CID71517525
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name1H-indol-3-yl(10H-phenothiazin-3-yl)methanone
SMILESO=C(c1ccc2c(c1)Sc1ccccc1N2)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N2OS/c24-21(15-12-22-16-6-2-1-5-14(15)16)13-9-10-18-20(11-13)25-19-8-4-3-7-17(19)23-18/h1-12,22-23H
InChIKeyUSOZNBLGPLPNJJ-UHFFFAOYSA-N
XLogP5.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726
1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
CID 43161266
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
CID 139497293
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
1H-indol-3-yl-(2-methylsulfanylphenyl)methanone
CID 79214624
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone?
The IUPAC name of 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone (CID 71517525) is 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone is O=C(c1ccc2c(c1)Sc1ccccc1N2)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone?
The InChIKey is USOZNBLGPLPNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c24-21(15-12-22-16-6-2-1-5-14(15)16)13-9-10-18-20(11-13)25-19-8-4-3-7-17(19)23-18/h1-12,22-23H.
What are the key properties of 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone?
1H-indol-3-yl(10H-phenothiazin-3-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 5.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(10H-phenothiazin-3-yl)methanone is sourced from PubChem (CID 71517525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).