2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine

C46H44Br2F2N8O2 — CID 157361769

IUPAC2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine
SMILESCOc1c2c(cc3c4cc(Br)ccc4n(CCN)c13)c1cc(Br)ccc1n2CCN.COc1c2c(cc3c4cc(F)ccc4n(CCN)c13)c1cc(F)ccc1n2CCN
InChIInChI=1S/C23H22Br2N4O.C23H22F2N4O/c2*1-30-23-21-17(15-10-13(24)2-4-19(15)28(21)8-6-26)12-18-16-11-14(25)3-5-20(16)29(9-7-27)22(18)23/h2*2-5,10-12H,6-9,26-27H2,1H3
InChIKeyBISKKDHETXCFID-UHFFFAOYSA-N
MW938.72 g/mol
LogP9.46
Rot. Bonds10

About 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine

2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine (PubChem CID 157361769) has the molecular formula C46H44Br2F2N8O2 and a molecular weight of 938.72 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine
PubChem CID157361769
Molecular FormulaC46H44Br2F2N8O2
Molecular Weight938.72 g/mol
Exact Mass936.19
IUPAC Name2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine
SMILESCOc1c2c(cc3c4cc(Br)ccc4n(CCN)c13)c1cc(Br)ccc1n2CCN.COc1c2c(cc3c4cc(F)ccc4n(CCN)c13)c1cc(F)ccc1n2CCN
InChIInChI=1S/C23H22Br2N4O.C23H22F2N4O/c2*1-30-23-21-17(15-10-13(24)2-4-19(15)28(21)8-6-26)12-18-16-11-14(25)3-5-20(16)29(9-7-27)22(18)23/h2*2-5,10-12H,6-9,26-27H2,1H3
InChIKeyBISKKDHETXCFID-UHFFFAOYSA-N
XLogP9.46
TPSA142.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.72
LogP ≤ 59.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine with MolForge

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Related Compounds

2-[5-[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]-N,N-dimethylethanamine
CID 45139071
2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine
CID 59238945
2,2'-(2,10-Difluoro-6-methoxyindolo[2,3-b]carbazole-5,7-diyl)diethanamine
CID 59239023
2-[5,7-bis[2-(dimethylamino)ethyl]-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-1-yl]-2-(2,10-difluoro-6-methyl-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine
CID 68385307
2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)ethanamine
CID 143960025
[1-[(3-Bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-fluorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[1-[(3-methoxyphenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-phenyl-1-[[3-(trifluoromethoxy)phenyl]methyl]-5-(trifluoromethyl)indol-2-yl]methanol
CID 159127608
2-(2,10-difluoro-6-methoxy-7H-indolo[2,3-b]carbazol-5-yl)-N,N-dimethylethanamine;6-ethyl-5,7-dihydroindolo[2,3-b]carbazole;6-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
CID 162087738
4-(3-(2,10-Dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yloxy)propyl)morpholine
CID 45136983
4-(4-(2,10-Dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yloxy)butyl)morpholine
CID 59238876
3-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
CID 59238887
2-(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yloxy)-N,N-diethylethanamine
CID 59238895
2,10-Dibromo-6-(2-piperidin-1-ylethoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59238896

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
The IUPAC name of 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine (CID 157361769) is 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
The canonical SMILES for 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine is COc1c2c(cc3c4cc(Br)ccc4n(CCN)c13)c1cc(Br)ccc1n2CCN.COc1c2c(cc3c4cc(F)ccc4n(CCN)c13)c1cc(F)ccc1n2CCN.
What is the InChIKey of 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
The InChIKey is BISKKDHETXCFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N4O.C23H22F2N4O/c2*1-30-23-21-17(15-10-13(24)2-4-19(15)28(21)8-6-26)12-18-16-11-14(25)3-5-20(16)29(9-7-27)22(18)23/h2*2-5,10-12H,6-9,26-27H2,1H3.
What are the key properties of 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine has a molecular weight of 938.72 g/mol, XLogP of 9.46, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine;2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine is sourced from PubChem (CID 157361769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).