5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole

C26H16N2S — CID 121429648

IUPAC5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c[nH]c2c1
InChIInChI=1S/C26H16N2S/c1-4-10-20-18(8-1)23(15-27-20)28-21-11-5-2-9-19(21)25-22(28)14-13-17-16-7-3-6-12-24(16)29-26(17)25/h1-15,27H
InChIKeyBUOWGBKHCKNCCS-UHFFFAOYSA-N
MW388.50 g/mol
LogP7.63
Rot. Bonds1

About 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole

5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 121429648) has the molecular formula C26H16N2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID121429648
Molecular FormulaC26H16N2S
Molecular Weight388.50 g/mol
Exact Mass388.10
IUPAC Name5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c[nH]c2c1
InChIInChI=1S/C26H16N2S/c1-4-10-20-18(8-1)23(15-27-20)28-21-11-5-2-9-19(21)25-22(28)14-13-17-16-7-3-6-12-24(16)29-26(17)25/h1-15,27H
InChIKeyBUOWGBKHCKNCCS-UHFFFAOYSA-N
XLogP7.63
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid
CID 71235174
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503087
5-(4-ethylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 118689653
5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080
CID 159669751
CID 159669751
5-[3-[6-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118939041
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736430
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300159
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300211
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226902
N'-methyl-N-methylidene-[1]benzothiolo[3,2-c]carbazole-5-carboximidamide
CID 166953789

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole (CID 121429648) is 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc2c(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c[nH]c2c1.
What is the InChIKey of 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is BUOWGBKHCKNCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2S/c1-4-10-20-18(8-1)23(15-27-20)28-21-11-5-2-9-19(21)25-22(28)14-13-17-16-7-3-6-12-24(16)29-26(17)25/h1-15,27H.
What are the key properties of 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 388.50 g/mol, XLogP of 7.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 121429648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).