12-iodo-[1]benzothiolo[2,3-a]carbazole

C18H10INS — CID 126517535

IUPAC12-iodo-[1]benzothiolo[2,3-a]carbazole
SMILESIn1c2ccccc2c2ccc3c4ccccc4sc3c21
InChIInChI=1S/C18H10INS/c19-20-15-7-3-1-5-11(15)13-9-10-14-12-6-2-4-8-16(12)21-18(14)17(13)20/h1-10H
InChIKeyPRKOYVHAHHPOGS-UHFFFAOYSA-N
MW399.26 g/mol
LogP6.36
Rot. Bonds

About 12-iodo-[1]benzothiolo[2,3-a]carbazole

12-iodo-[1]benzothiolo[2,3-a]carbazole (PubChem CID 126517535) has the molecular formula C18H10INS and a molecular weight of 399.26 g/mol. Its IUPAC name is 12-iodo-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-iodo-[1]benzothiolo[2,3-a]carbazole
PubChem CID126517535
Molecular FormulaC18H10INS
Molecular Weight399.26 g/mol
Exact Mass398.96
IUPAC Name12-iodo-[1]benzothiolo[2,3-a]carbazole
SMILESIn1c2ccccc2c2ccc3c4ccccc4sc3c21
InChIInChI=1S/C18H10INS/c19-20-15-7-3-1-5-11(15)13-9-10-14-12-6-2-4-8-16(12)21-18(14)17(13)20/h1-10H
InChIKeyPRKOYVHAHHPOGS-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'}

Analyze 12-iodo-[1]benzothiolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18-iodo-9-thia-18-azahexacyclo[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 126517450
15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
15-ethyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242724
12-phenanthren-9-yl-[1]benzothiolo[2,3-a]carbazole
CID 118502908
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2,1,3-benzothiadiazol-7-yl]-[1]benzothiolo[2,3-a]carbazole
CID 135178433
12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 167193290
7-iodo-[1]benzothiolo[2,3-b]carbazole
CID 126517461
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 118502961
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242711
15-hexadecyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242745

Frequently Asked Questions

What is the IUPAC name of 12-iodo-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-iodo-[1]benzothiolo[2,3-a]carbazole (CID 126517535) is 12-iodo-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-iodo-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-iodo-[1]benzothiolo[2,3-a]carbazole is In1c2ccccc2c2ccc3c4ccccc4sc3c21.
What is the InChIKey of 12-iodo-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is PRKOYVHAHHPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10INS/c19-20-15-7-3-1-5-11(15)13-9-10-14-12-6-2-4-8-16(12)21-18(14)17(13)20/h1-10H.
What are the key properties of 12-iodo-[1]benzothiolo[2,3-a]carbazole?
12-iodo-[1]benzothiolo[2,3-a]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 12-iodo-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 126517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).