7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole

C25H15N3S — CID 118503066

IUPAC7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H15N3S/c1-3-7-22-16(5-1)18-12-19-17-6-2-4-8-24(17)29-25(19)13-23(18)28(22)15-9-10-20-21(11-15)27-14-26-20/h1-14H,(H,26,27)
InChIKeyUVYILHYIVGBPFS-UHFFFAOYSA-N
MW389.48 g/mol
LogP7.03
Rot. Bonds1

About 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole

7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 118503066) has the molecular formula C25H15N3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID118503066
Molecular FormulaC25H15N3S
Molecular Weight389.48 g/mol
Exact Mass389.10
IUPAC Name7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H15N3S/c1-3-7-22-16(5-1)18-12-19-17-6-2-4-8-24(17)29-25(19)13-23(18)28(22)15-9-10-20-21(11-15)27-14-26-20/h1-14H,(H,26,27)
InChIKeyUVYILHYIVGBPFS-UHFFFAOYSA-N
XLogP7.03
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[2,3-b]carbazole
CID 154952453
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193195
7-[3-[6-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630806
7-[4-[2,6-bis[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 144919691
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788

Frequently Asked Questions

What is the IUPAC name of 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole (CID 118503066) is 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2nc[nH]c2c1.
What is the InChIKey of 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is UVYILHYIVGBPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3S/c1-3-7-22-16(5-1)18-12-19-17-6-2-4-8-24(17)29-25(19)13-23(18)28(22)15-9-10-20-21(11-15)27-14-26-20/h1-14H,(H,26,27).
What are the key properties of 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole?
7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 389.48 g/mol, XLogP of 7.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3H-benzimidazol-5-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 118503066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).