7-iodo-[1]benzothiolo[2,3-b]carbazole

C18H10INS — CID 126517461

IUPAC7-iodo-[1]benzothiolo[2,3-b]carbazole
SMILESIn1c2ccccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C18H10INS/c19-20-15-7-3-1-5-11(15)13-9-14-12-6-2-4-8-17(12)21-18(14)10-16(13)20/h1-10H
InChIKeySBXTZSGXDLUYQQ-UHFFFAOYSA-N
MW399.26 g/mol
LogP6.36
Rot. Bonds

About 7-iodo-[1]benzothiolo[2,3-b]carbazole

7-iodo-[1]benzothiolo[2,3-b]carbazole (PubChem CID 126517461) has the molecular formula C18H10INS and a molecular weight of 399.26 g/mol. Its IUPAC name is 7-iodo-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-iodo-[1]benzothiolo[2,3-b]carbazole
PubChem CID126517461
Molecular FormulaC18H10INS
Molecular Weight399.26 g/mol
Exact Mass398.96
IUPAC Name7-iodo-[1]benzothiolo[2,3-b]carbazole
SMILESIn1c2ccccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C18H10INS/c19-20-15-7-3-1-5-11(15)13-9-14-12-6-2-4-8-17(12)21-18(14)10-16(13)20/h1-10H
InChIKeySBXTZSGXDLUYQQ-UHFFFAOYSA-N
XLogP6.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.26
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine
CID 163458255
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 177252934
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
2,3-bis([1]benzothiolo[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 166572494
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193195
7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169027876
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250

Frequently Asked Questions

What is the IUPAC name of 7-iodo-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-iodo-[1]benzothiolo[2,3-b]carbazole (CID 126517461) is 7-iodo-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-iodo-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-iodo-[1]benzothiolo[2,3-b]carbazole is In1c2ccccc2c2cc3c(cc21)sc1ccccc13.
What is the InChIKey of 7-iodo-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is SBXTZSGXDLUYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10INS/c19-20-15-7-3-1-5-11(15)13-9-14-12-6-2-4-8-17(12)21-18(14)10-16(13)20/h1-10H.
What are the key properties of 7-iodo-[1]benzothiolo[2,3-b]carbazole?
7-iodo-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 399.26 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 126517461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).