N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine

C25H25Br2N3O — CID 59239011

IUPACN-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C25H25Br2N3O/c1-3-4-9-30(2)10-11-31-25-23-19(17-12-15(26)5-7-21(17)28-23)14-20-18-13-16(27)6-8-22(18)29-24(20)25/h5-8,12-14,28-29H,3-4,9-11H2,1-2H3
InChIKeyQTIXFOSZUWAQQC-UHFFFAOYSA-N
MW543.30 g/mol
LogP7.59
Rot. Bonds7

About N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine

N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine (PubChem CID 59239011) has the molecular formula C25H25Br2N3O and a molecular weight of 543.30 g/mol. Its IUPAC name is N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine
PubChem CID59239011
Molecular FormulaC25H25Br2N3O
Molecular Weight543.30 g/mol
Exact Mass541.04
IUPAC NameN-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C25H25Br2N3O/c1-3-4-9-30(2)10-11-31-25-23-19(17-12-15(26)5-7-21(17)28-23)14-20-18-13-16(27)6-8-22(18)29-24(20)25/h5-8,12-14,28-29H,3-4,9-11H2,1-2H3
InChIKeyQTIXFOSZUWAQQC-UHFFFAOYSA-N
XLogP7.59
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.30
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59238921
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
3,6-dibromo-1-ethyl-9H-carbazole
CID 172559525
1,6-dibromo-3-methyl-9H-carbazole
CID 171793156
2,8-dibromo-1-hexoxydibenzothiophene
CID 141331169
3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propan-1-amine;2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole
CID 158336425
N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
CID 5262030
N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide
CID 90894982
6-bromo-2-butyl-1H-quinolin-4-one
CID 155408645
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
5-bromo-3-pentyl-2-phenyl-1H-indole
CID 68813934

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine?
The IUPAC name of N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine (CID 59239011) is N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine is CCCCN(C)CCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine?
The InChIKey is QTIXFOSZUWAQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Br2N3O/c1-3-4-9-30(2)10-11-31-25-23-19(17-12-15(26)5-7-21(17)28-23)14-20-18-13-16(27)6-8-22(18)29-24(20)25/h5-8,12-14,28-29H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine?
N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine has a molecular weight of 543.30 g/mol, XLogP of 7.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-N-methylbutan-1-amine is sourced from PubChem (CID 59239011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).