5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole

C25H14N2S2 — CID 118503078

IUPAC5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc2ncsc2c1
InChIInChI=1S/C25H14N2S2/c1-3-7-20-18(6-1)24-21(27(20)15-9-11-19-23(13-15)28-14-26-19)12-10-17-16-5-2-4-8-22(16)29-25(17)24/h1-14H
InChIKeyURPGYKVJSIOLRL-UHFFFAOYSA-N
MW406.54 g/mol
LogP7.76
Rot. Bonds1

About 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole

5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 118503078) has the molecular formula C25H14N2S2 and a molecular weight of 406.54 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID118503078
Molecular FormulaC25H14N2S2
Molecular Weight406.54 g/mol
Exact Mass406.06
IUPAC Name5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc2ncsc2c1
InChIInChI=1S/C25H14N2S2/c1-3-7-20-18(6-1)24-21(27(20)15-9-11-19-23(13-15)28-14-26-19)12-10-17-16-5-2-4-8-22(16)29-25(17)24/h1-14H
InChIKeyURPGYKVJSIOLRL-UHFFFAOYSA-N
XLogP7.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.54
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080
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
[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]boronic acid
CID 71235174
5-(4-ethylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 118689653
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
4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile
CID 142495082
5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170286844
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144
9-[3-(3-carbazol-9-ylphenyl)phenyl]-20-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 139575247
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole (CID 118503078) is 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc2ncsc2c1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is URPGYKVJSIOLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N2S2/c1-3-7-20-18(6-1)24-21(27(20)15-9-11-19-23(13-15)28-14-26-19)12-10-17-16-5-2-4-8-22(16)29-25(17)24/h1-14H.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 406.54 g/mol, XLogP of 7.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 118503078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).