4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine

C54H62Br2N8O2 — CID 159885854

IUPAC4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine
SMILESCOc1c2c(cc3c4cc(Br)ccc4n(CCCCN)c13)c1cc(Br)ccc1n2CCCCN.COc1c2c(cc3c4ccccc4n(CCCCN)c13)c1ccccc1n2CCCCN
InChIInChI=1S/C27H30Br2N4O.C27H32N4O/c1-34-27-25-21(19-14-17(28)6-8-23(19)32(25)12-4-2-10-30)16-22-20-15-18(29)7-9-24(20)33(26(22)27)13-5-3-11-31;1-32-27-25-21(19-10-2-4-12-23(19)30(25)16-8-6-14-28)18-22-20-11-3-5-13-24(20)31(26(22)27)17-9-7-15-29/h6-9,14-16H,2-5,10-13,30-31H2,1H3;2-5,10-13,18H,6-9,14-17,28-29H2,1H3
InChIKeyNUCYLZXZDMCDRH-UHFFFAOYSA-N
MW1014.95 g/mol
LogP12.30
Rot. Bonds18

About 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine

4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine (PubChem CID 159885854) has the molecular formula C54H62Br2N8O2 and a molecular weight of 1014.95 g/mol. Its IUPAC name is 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine
PubChem CID159885854
Molecular FormulaC54H62Br2N8O2
Molecular Weight1014.95 g/mol
Exact Mass1012.34
IUPAC Name4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine
SMILESCOc1c2c(cc3c4cc(Br)ccc4n(CCCCN)c13)c1cc(Br)ccc1n2CCCCN.COc1c2c(cc3c4ccccc4n(CCCCN)c13)c1ccccc1n2CCCCN
InChIInChI=1S/C27H30Br2N4O.C27H32N4O/c1-34-27-25-21(19-14-17(28)6-8-23(19)32(25)12-4-2-10-30)16-22-20-15-18(29)7-9-24(20)33(26(22)27)13-5-3-11-31;1-32-27-25-21(19-10-2-4-12-23(19)30(25)16-8-6-14-28)18-22-20-11-3-5-13-24(20)31(26(22)27)17-9-7-15-29/h6-9,14-16H,2-5,10-13,30-31H2,1H3;2-5,10-13,18H,6-9,14-17,28-29H2,1H3
InChIKeyNUCYLZXZDMCDRH-UHFFFAOYSA-N
XLogP12.30
TPSA142.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.95
LogP ≤ 512.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine with MolForge

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Related Compounds

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
[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
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole
CID 102015823
Ditert-butyl 2,10-dibromo-6-methoxyindolo[2,3-b]carbazole-5,7-dicarboxylate
CID 16749421
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
2-(2,10-dibromo-5,7-dihydroindolo[2,3-b]carbazol-6-yloxy)-N-methylethanamine
CID 59238897
2,10-Dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59238921

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine?
The IUPAC name of 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine (CID 159885854) is 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine?
The canonical SMILES for 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine is COc1c2c(cc3c4cc(Br)ccc4n(CCCCN)c13)c1cc(Br)ccc1n2CCCCN.COc1c2c(cc3c4ccccc4n(CCCCN)c13)c1ccccc1n2CCCCN.
What is the InChIKey of 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine?
The InChIKey is NUCYLZXZDMCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Br2N4O.C27H32N4O/c1-34-27-25-21(19-14-17(28)6-8-23(19)32(25)12-4-2-10-30)16-22-20-15-18(29)7-9-24(20)33(26(22)27)13-5-3-11-31;1-32-27-25-21(19-10-2-4-12-23(19)30(25)16-8-6-14-28)18-22-20-11-3-5-13-24(20)31(26(22)27)17-9-7-15-29/h6-9,14-16H,2-5,10-13,30-31H2,1H3;2-5,10-13,18H,6-9,14-17,28-29H2,1H3.
What are the key properties of 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine?
4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine has a molecular weight of 1014.95 g/mol, XLogP of 12.30, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminobutyl)-2,10-dibromo-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine;4-[5-(4-aminobutyl)-6-methoxyindolo[2,3-b]carbazol-7-yl]butan-1-amine is sourced from PubChem (CID 159885854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).