11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole

C24H14INS — CID 126517447

IUPAC11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole
SMILESIc1ccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)cc1
InChIInChI=1S/C24H14INS/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-14-24-20(13-22(19)26)18-6-2-4-8-23(18)27-24/h1-14H
InChIKeyGRHSVYNVSZHINL-UHFFFAOYSA-N
MW475.35 g/mol
LogP7.76
Rot. Bonds1

About 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole

11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 126517447) has the molecular formula C24H14INS and a molecular weight of 475.35 g/mol. Its IUPAC name is 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID126517447
Molecular FormulaC24H14INS
Molecular Weight475.35 g/mol
Exact Mass474.99
IUPAC Name11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole
SMILESIc1ccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)cc1
InChIInChI=1S/C24H14INS/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-14-24-20(13-22(19)26)18-6-2-4-8-23(18)27-24/h1-14H
InChIKeyGRHSVYNVSZHINL-UHFFFAOYSA-N
XLogP7.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 57.76
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-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502936
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193195
9-dibenzothiophen-3-yl-18-(4-iodophenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146775593
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
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
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
dibenzothiophene;9-phenylcarbazole
CID 142415981
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122

Frequently Asked Questions

What is the IUPAC name of 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole (CID 126517447) is 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole is Ic1ccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)cc1.
What is the InChIKey of 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is GRHSVYNVSZHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14INS/c25-15-9-11-16(12-10-15)26-21-7-3-1-5-17(21)19-14-24-20(13-22(19)26)18-6-2-4-8-23(18)27-24/h1-14H.
What are the key properties of 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole?
11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 475.35 g/mol, XLogP of 7.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 126517447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).