N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine

C18H11IN2S — CID 163458255

IUPACN-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine
SMILESINn1c2ccccc2c2cc3sc4ccccc4c3cc21
InChIInChI=1S/C18H11IN2S/c19-20-21-15-7-3-1-5-11(15)13-10-18-14(9-16(13)21)12-6-2-4-8-17(12)22-18/h1-10,20H
InChIKeyBMIYHKXZDZLTPP-UHFFFAOYSA-N
MW414.27 g/mol
LogP6.06
Rot. Bonds1

About N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine

N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine (PubChem CID 163458255) has the molecular formula C18H11IN2S and a molecular weight of 414.27 g/mol. Its IUPAC name is N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine.

Molecular Properties

Compound NameN-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine
PubChem CID163458255
Molecular FormulaC18H11IN2S
Molecular Weight414.27 g/mol
Exact Mass413.97
IUPAC NameN-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine
SMILESINn1c2ccccc2c2cc3sc4ccccc4c3cc21
InChIInChI=1S/C18H11IN2S/c19-20-21-15-7-3-1-5-11(15)13-10-18-14(9-16(13)21)12-6-2-4-8-17(12)22-18/h1-10,20H
InChIKeyBMIYHKXZDZLTPP-UHFFFAOYSA-N
XLogP6.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-iodo-[1]benzothiolo[2,3-b]carbazole
CID 126517461
11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole
CID 126517447
11-pyridin-2-yl-[1]benzothiolo[3,2-b]carbazole
CID 118488537
11-hexyl-[1]benzothiolo[3,2-b]carbazole
CID 71062032
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448
11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027727
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393

Frequently Asked Questions

What is the IUPAC name of N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine?
The IUPAC name of N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine (CID 163458255) is N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine.
What is the SMILES notation for N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine?
The canonical SMILES for N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine is INn1c2ccccc2c2cc3sc4ccccc4c3cc21.
What is the InChIKey of N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine?
The InChIKey is BMIYHKXZDZLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IN2S/c19-20-21-15-7-3-1-5-11(15)13-10-18-14(9-16(13)21)12-6-2-4-8-17(12)22-18/h1-10,20H.
What are the key properties of N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine?
N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine has a molecular weight of 414.27 g/mol, XLogP of 6.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-[1]benzothiolo[3,2-b]carbazol-11-amine is sourced from PubChem (CID 163458255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).