6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

C32H22N2O4 — CID 155805462

IUPAC6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
SMILESc1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)c1c([nH]c2ccccc12)C3c1ccc2c(c1)OCO2
InChIInChI=1S/C32H22N2O4/c1-3-7-21-19(5-1)29-27(17-9-11-23-25(13-17)37-15-35-23)32-30(20-6-2-4-8-22(20)34-32)28(31(29)33-21)18-10-12-24-26(14-18)38-16-36-24/h1-14,27-28,33-34H,15-16H2
InChIKeyCCGWPUHYKJCGPF-UHFFFAOYSA-N
MW498.54 g/mol
LogP6.78
Rot. Bonds2

About 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole (PubChem CID 155805462) has the molecular formula C32H22N2O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
PubChem CID155805462
Molecular FormulaC32H22N2O4
Molecular Weight498.54 g/mol
Exact Mass498.16
IUPAC Name6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
SMILESc1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)c1c([nH]c2ccccc12)C3c1ccc2c(c1)OCO2
InChIInChI=1S/C32H22N2O4/c1-3-7-21-19(5-1)29-27(17-9-11-23-25(13-17)37-15-35-23)32-30(20-6-2-4-8-22(20)34-32)28(31(29)33-21)18-10-12-24-26(14-18)38-16-36-24/h1-14,27-28,33-34H,15-16H2
InChIKeyCCGWPUHYKJCGPF-UHFFFAOYSA-N
XLogP6.78
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The IUPAC name of 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole (CID 155805462) is 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The canonical SMILES for 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole is c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)c1c([nH]c2ccccc12)C3c1ccc2c(c1)OCO2.
What is the InChIKey of 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The InChIKey is CCGWPUHYKJCGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O4/c1-3-7-21-19(5-1)29-27(17-9-11-23-25(13-17)37-15-35-23)32-30(20-6-2-4-8-22(20)34-32)28(31(29)33-21)18-10-12-24-26(14-18)38-16-36-24/h1-14,27-28,33-34H,15-16H2.
What are the key properties of 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole has a molecular weight of 498.54 g/mol, XLogP of 6.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(1,3-benzodioxol-5-yl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 155805462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).