3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole

C47H43Br4N7O2 — CID 88963716

IUPAC3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESBrc1ccc2[nH]c3c(OCCN4CCNCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1.CN(C)CCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C24H22Br2N4O.C23H21Br2N3O/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)29-23(19)24(22(18)28-20)31-10-9-30-7-5-27-6-8-30;1-28(2)8-3-9-29-23-21-17(15-10-13(24)4-6-19(15)26-21)12-18-16-11-14(25)5-7-20(16)27-22(18)23/h1-4,11-13,27-29H,5-10H2;4-7,10-12,26-27H,3,8-9H2,1-2H3
InChIKeyYZAFFCVWEOBKQP-UHFFFAOYSA-N
MW1057.52 g/mol
LogP12.58
Rot. Bonds9

About 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole

3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 88963716) has the molecular formula C47H43Br4N7O2 and a molecular weight of 1057.52 g/mol. Its IUPAC name is 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID88963716
Molecular FormulaC47H43Br4N7O2
Molecular Weight1057.52 g/mol
Exact Mass1053.02
IUPAC Name3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESBrc1ccc2[nH]c3c(OCCN4CCNCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1.CN(C)CCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C24H22Br2N4O.C23H21Br2N3O/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)29-23(19)24(22(18)28-20)31-10-9-30-7-5-27-6-8-30;1-28(2)8-3-9-29-23-21-17(15-10-13(24)4-6-19(15)26-21)12-18-16-11-14(25)5-7-20(16)27-22(18)23/h1-4,11-13,27-29H,5-10H2;4-7,10-12,26-27H,3,8-9H2,1-2H3
InChIKeyYZAFFCVWEOBKQP-UHFFFAOYSA-N
XLogP12.58
TPSA100.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.52
LogP ≤ 512.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole (CID 88963716) is 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole is Brc1ccc2[nH]c3c(OCCN4CCNCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1.CN(C)CCCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is YZAFFCVWEOBKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N4O.C23H21Br2N3O/c25-14-1-3-20-16(11-14)18-13-19-17-12-15(26)2-4-21(17)29-23(19)24(22(18)28-20)31-10-9-30-7-5-27-6-8-30;1-28(2)8-3-9-29-23-21-17(15-10-13(24)4-6-19(15)26-21)12-18-16-11-14(25)5-7-20(16)27-22(18)23/h1-4,11-13,27-29H,5-10H2;4-7,10-12,26-27H,3,8-9H2,1-2H3.
What are the key properties of 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole?
3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 1057.52 g/mol, XLogP of 12.58, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine;2,10-dibromo-6-(2-piperazin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 88963716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).