3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole

C24H14Cl2N2 — CID 155811009

IUPAC3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole
SMILESClc1ccc2c(-c3c4ccccc4cc4[nH]c5cc(Cl)ccc5c34)c[nH]c2c1
InChIInChI=1S/C24H14Cl2N2/c25-14-5-7-17-19(12-27-20(17)10-14)23-16-4-2-1-3-13(16)9-22-24(23)18-8-6-15(26)11-21(18)28-22/h1-12,27-28H
InChIKeyWAACSVAZHUHHMJ-UHFFFAOYSA-N
MW401.30 g/mol
LogP7.93
Rot. Bonds1

About 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole

3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole (PubChem CID 155811009) has the molecular formula C24H14Cl2N2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole.

Molecular Properties

Compound Name3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole
PubChem CID155811009
Molecular FormulaC24H14Cl2N2
Molecular Weight401.30 g/mol
Exact Mass400.05
IUPAC Name3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole
SMILESClc1ccc2c(-c3c4ccccc4cc4[nH]c5cc(Cl)ccc5c34)c[nH]c2c1
InChIInChI=1S/C24H14Cl2N2/c25-14-5-7-17-19(12-27-20(17)10-14)23-16-4-2-1-3-13(16)9-22-24(23)18-8-6-15(26)11-21(18)28-22/h1-12,27-28H
InChIKeyWAACSVAZHUHHMJ-UHFFFAOYSA-N
XLogP7.93
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.30
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole?
The IUPAC name of 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole (CID 155811009) is 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole.
What is the SMILES notation for 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole?
The canonical SMILES for 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole is Clc1ccc2c(-c3c4ccccc4cc4[nH]c5cc(Cl)ccc5c34)c[nH]c2c1.
What is the InChIKey of 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole?
The InChIKey is WAACSVAZHUHHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2/c25-14-5-7-17-19(12-27-20(17)10-14)23-16-4-2-1-3-13(16)9-22-24(23)18-8-6-15(26)11-21(18)28-22/h1-12,27-28H.
What are the key properties of 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole?
3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole has a molecular weight of 401.30 g/mol, XLogP of 7.93, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-11-(6-chloro-1H-indol-3-yl)-5H-benzo[b]carbazole is sourced from PubChem (CID 155811009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).