2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole

C25H23Br2N3O — CID 59238896

IUPAC2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESBrc1ccc2[nH]c3c(OCCN4CCCCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1
InChIInChI=1S/C25H23Br2N3O/c26-15-4-6-21-17(12-15)19-14-20-18-13-16(27)5-7-22(18)29-24(20)25(23(19)28-21)31-11-10-30-8-2-1-3-9-30/h4-7,12-14,28-29H,1-3,8-11H2
InChIKeyFNVHUSRRDRVJJN-UHFFFAOYSA-N
MW541.29 g/mol
LogP7.35
Rot. Bonds4

About 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole

2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238896) has the molecular formula C25H23Br2N3O and a molecular weight of 541.29 g/mol. Its IUPAC name is 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238896
Molecular FormulaC25H23Br2N3O
Molecular Weight541.29 g/mol
Exact Mass539.02
IUPAC Name2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESBrc1ccc2[nH]c3c(OCCN4CCCCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1
InChIInChI=1S/C25H23Br2N3O/c26-15-4-6-21-17(12-15)19-14-20-18-13-16(27)5-7-22(18)29-24(20)25(23(19)28-21)31-11-10-30-8-2-1-3-9-30/h4-7,12-14,28-29H,1-3,8-11H2
InChIKeyFNVHUSRRDRVJJN-UHFFFAOYSA-N
XLogP7.35
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.29
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole (CID 59238896) is 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole is Brc1ccc2[nH]c3c(OCCN4CCCCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1.
What is the InChIKey of 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is FNVHUSRRDRVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Br2N3O/c26-15-4-6-21-17(12-15)19-14-20-18-13-16(27)5-7-22(18)29-24(20)25(23(19)28-21)31-11-10-30-8-2-1-3-9-30/h4-7,12-14,28-29H,1-3,8-11H2.
What are the key properties of 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 541.29 g/mol, XLogP of 7.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).