3,6-dichloro-1,8-diiodo-9H-carbazole

C12H5Cl2I2N — CID 16719908

IUPAC3,6-dichloro-1,8-diiodo-9H-carbazole
SMILESClc1cc(I)c2[nH]c3c(I)cc(Cl)cc3c2c1
InChIInChI=1S/C12H5Cl2I2N/c13-5-1-7-8-2-6(14)4-10(16)12(8)17-11(7)9(15)3-5/h1-4,17H
InChIKeyWWSKHQRIHAODTM-UHFFFAOYSA-N
MW487.89 g/mol
LogP5.84
Rot. Bonds

About 3,6-dichloro-1,8-diiodo-9H-carbazole

3,6-dichloro-1,8-diiodo-9H-carbazole (PubChem CID 16719908) has the molecular formula C12H5Cl2I2N and a molecular weight of 487.89 g/mol. Its IUPAC name is 3,6-dichloro-1,8-diiodo-9H-carbazole.

Molecular Properties

Compound Name3,6-dichloro-1,8-diiodo-9H-carbazole
PubChem CID16719908
Molecular FormulaC12H5Cl2I2N
Molecular Weight487.89 g/mol
Exact Mass486.79
IUPAC Name3,6-dichloro-1,8-diiodo-9H-carbazole
SMILESClc1cc(I)c2[nH]c3c(I)cc(Cl)cc3c2c1
InChIInChI=1S/C12H5Cl2I2N/c13-5-1-7-8-2-6(14)4-10(16)12(8)17-11(7)9(15)3-5/h1-4,17H
InChIKeyWWSKHQRIHAODTM-UHFFFAOYSA-N
XLogP5.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.89
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-8-iodo-2-propan-2-yl-1H-quinolin-4-one
CID 107628024
5-chloro-7-fluoro-3-iodo-1H-indole
CID 118882795
6-chloro-8-iodoquinolin-4-amine
CID 107628509
2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol
CID 102431898
5-chloro-7-fluoro-2-iodo-1H-indole
CID 130052359
1,5-dichloro-2-fluoro-3-iodobenzene
CID 121228334
1-bromo-2,5-dichloro-3-iodobenzene
CID 118797013
1,8-dichloro-3,6-dimethyl-9H-carbazole
CID 156769034
5-chloro-3-iodo-1H-indole
CID 2762969
3-chloro-1,6-dimethoxy-9H-carbazole
CID 171714846
1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
2-chloro-5H-benzo[c][1,8]naphthyridin-6-one
CID 58167982

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-1,8-diiodo-9H-carbazole?
The IUPAC name of 3,6-dichloro-1,8-diiodo-9H-carbazole (CID 16719908) is 3,6-dichloro-1,8-diiodo-9H-carbazole.
What is the SMILES notation for 3,6-dichloro-1,8-diiodo-9H-carbazole?
The canonical SMILES for 3,6-dichloro-1,8-diiodo-9H-carbazole is Clc1cc(I)c2[nH]c3c(I)cc(Cl)cc3c2c1.
What is the InChIKey of 3,6-dichloro-1,8-diiodo-9H-carbazole?
The InChIKey is WWSKHQRIHAODTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2I2N/c13-5-1-7-8-2-6(14)4-10(16)12(8)17-11(7)9(15)3-5/h1-4,17H.
What are the key properties of 3,6-dichloro-1,8-diiodo-9H-carbazole?
3,6-dichloro-1,8-diiodo-9H-carbazole has a molecular weight of 487.89 g/mol, XLogP of 5.84, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-1,8-diiodo-9H-carbazole is sourced from PubChem (CID 16719908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).