4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine

C22H16N4S — CID 155812068

IUPAC4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine
SMILESNc1ccc2[nH]cc(-c3c4ccsc4cc4[nH]c5ccc(N)cc5c34)c2c1
InChIInChI=1S/C22H16N4S/c23-11-1-3-17-14(7-11)16(10-25-17)21-13-5-6-27-20(13)9-19-22(21)15-8-12(24)2-4-18(15)26-19/h1-10,25-26H,23-24H2
InChIKeyLWOVRYNVJDTVTH-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.85
Rot. Bonds1

About 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine

4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine (PubChem CID 155812068) has the molecular formula C22H16N4S and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine.

Molecular Properties

Compound Name4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine
PubChem CID155812068
Molecular FormulaC22H16N4S
Molecular Weight368.47 g/mol
Exact Mass368.11
IUPAC Name4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine
SMILESNc1ccc2[nH]cc(-c3c4ccsc4cc4[nH]c5ccc(N)cc5c34)c2c1
InChIInChI=1S/C22H16N4S/c23-11-1-3-17-14(7-11)16(10-25-17)21-13-5-6-27-20(13)9-19-22(21)15-8-12(24)2-4-18(15)26-19/h1-10,25-26H,23-24H2
InChIKeyLWOVRYNVJDTVTH-UHFFFAOYSA-N
XLogP5.85
TPSA83.62 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine?
The IUPAC name of 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine (CID 155812068) is 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine.
What is the SMILES notation for 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine?
The canonical SMILES for 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine is Nc1ccc2[nH]cc(-c3c4ccsc4cc4[nH]c5ccc(N)cc5c34)c2c1.
What is the InChIKey of 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine?
The InChIKey is LWOVRYNVJDTVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4S/c23-11-1-3-17-14(7-11)16(10-25-17)21-13-5-6-27-20(13)9-19-22(21)15-8-12(24)2-4-18(15)26-19/h1-10,25-26H,23-24H2.
What are the key properties of 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine?
4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine has a molecular weight of 368.47 g/mol, XLogP of 5.85, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-indol-3-yl)-9H-thieno[2,3-b]carbazol-6-amine is sourced from PubChem (CID 155812068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).