3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine

C32H28Cl2N4O — CID 141356526

IUPAC3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c3cc(Cl)ccc3n(Cc3c[nH]c4ccccc34)c12
InChIInChI=1S/C32H28Cl2N4O/c1-37(2)12-5-13-39-32-30-25(23-14-20(33)8-10-28(23)36-30)16-26-24-15-21(34)9-11-29(24)38(31(26)32)18-19-17-35-27-7-4-3-6-22(19)27/h3-4,6-11,14-17,35-36H,5,12-13,18H2,1-2H3
InChIKeyLTQHFINXBIWYRS-UHFFFAOYSA-N
MW555.51 g/mol
LogP8.60
Rot. Bonds7

About 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine

3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 141356526) has the molecular formula C32H28Cl2N4O and a molecular weight of 555.51 g/mol. Its IUPAC name is 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID141356526
Molecular FormulaC32H28Cl2N4O
Molecular Weight555.51 g/mol
Exact Mass554.16
IUPAC Name3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c3cc(Cl)ccc3n(Cc3c[nH]c4ccccc34)c12
InChIInChI=1S/C32H28Cl2N4O/c1-37(2)12-5-13-39-32-30-25(23-14-20(33)8-10-28(23)36-30)16-26-24-15-21(34)9-11-29(24)38(31(26)32)18-19-17-35-27-7-4-3-6-22(19)27/h3-4,6-11,14-17,35-36H,5,12-13,18H2,1-2H3
InChIKeyLTQHFINXBIWYRS-UHFFFAOYSA-N
XLogP8.60
TPSA48.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.51
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-chloro-5-[3-(dimethylamino)propyl]-7H-indolo[2,3-c]quinolin-6-one
CID 21445423
2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
CID 161100285
4-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-1,2,4-triazole-3,5-diamine
CID 59238923
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 35726366
2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59239007
N-[1-[3-(4-chlorophenoxy)propyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55947794
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole
CID 122387908
2-[(11-chloro-10H-indolo[3,2-b]quinolin-7-yl)oxy]-N,N-dimethylethanamine
CID 163574292
N-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-9H-carbazol-3-amine
CID 156868408
N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
CID 110415872

Frequently Asked Questions

What is the IUPAC name of 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine (CID 141356526) is 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c3cc(Cl)ccc3n(Cc3c[nH]c4ccccc34)c12.
What is the InChIKey of 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is LTQHFINXBIWYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2N4O/c1-37(2)12-5-13-39-32-30-25(23-14-20(33)8-10-28(23)36-30)16-26-24-15-21(34)9-11-29(24)38(31(26)32)18-19-17-35-27-7-4-3-6-22(19)27/h3-4,6-11,14-17,35-36H,5,12-13,18H2,1-2H3.
What are the key properties of 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine?
3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 555.51 g/mol, XLogP of 8.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,10-dichloro-5-(1H-indol-3-ylmethyl)-7H-indolo[2,3-b]carbazol-6-yl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 141356526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).