2,8-dibromoindolo[3,2-b]carbazole

C18H8Br2N2 — CID 86811096

IUPAC2,8-dibromoindolo[3,2-b]carbazole
SMILESBrc1ccc2c(c1)-c1cc3c(cc1=N2)-c1cc(Br)ccc1N=3
InChIInChI=1S/C18H8Br2N2/c19-9-1-3-15-11(5-9)13-7-18-14(8-17(13)21-15)12-6-10(20)2-4-16(12)22-18/h1-8H
InChIKeyMCBADHLJNYYFMZ-UHFFFAOYSA-N
MW412.08 g/mol
LogP5.07
Rot. Bonds

About 2,8-dibromoindolo[3,2-b]carbazole

2,8-dibromoindolo[3,2-b]carbazole (PubChem CID 86811096) has the molecular formula C18H8Br2N2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 2,8-dibromoindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2,8-dibromoindolo[3,2-b]carbazole
PubChem CID86811096
Molecular FormulaC18H8Br2N2
Molecular Weight412.08 g/mol
Exact Mass409.91
IUPAC Name2,8-dibromoindolo[3,2-b]carbazole
SMILESBrc1ccc2c(c1)-c1cc3c(cc1=N2)-c1cc(Br)ccc1N=3
InChIInChI=1S/C18H8Br2N2/c19-9-1-3-15-11(5-9)13-7-18-14(8-17(13)21-15)12-6-10(20)2-4-16(12)22-18/h1-8H
InChIKeyMCBADHLJNYYFMZ-UHFFFAOYSA-N
XLogP5.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.08
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
Indolo(3,2-b)carbazole
CID 114764
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CID 5378323
2-[(E)-2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
CID 13593039
Benzenamine, 4-bromo-N-(diphenylethenylidene)-
CID 349473
2-Amino-5-bromobenzophenone hydrazone
CID 625740
N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(p-tolyl)ethan-1-imine
CID 155490362
2,8-Dibromo-6,12-diphenylbenzo[c][1,5]benzodiazocine
CID 1606375
N-Diphenylmethylene-4-bromoaniline
CID 11013110
Benzenamine, 4-bromo-N-(1-phenylethylidene)-
CID 11637633
Benzenamine, N-[1-(3-bromophenyl)ethylidene]-
CID 12176205
6-Bromo-4a-methyl-2,3,4,4a-tetrahydro-1h-carbazole
CID 15850054

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromoindolo[3,2-b]carbazole?
The IUPAC name of 2,8-dibromoindolo[3,2-b]carbazole (CID 86811096) is 2,8-dibromoindolo[3,2-b]carbazole.
What is the SMILES notation for 2,8-dibromoindolo[3,2-b]carbazole?
The canonical SMILES for 2,8-dibromoindolo[3,2-b]carbazole is Brc1ccc2c(c1)-c1cc3c(cc1=N2)-c1cc(Br)ccc1N=3.
What is the InChIKey of 2,8-dibromoindolo[3,2-b]carbazole?
The InChIKey is MCBADHLJNYYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2N2/c19-9-1-3-15-11(5-9)13-7-18-14(8-17(13)21-15)12-6-10(20)2-4-16(12)22-18/h1-8H.
What are the key properties of 2,8-dibromoindolo[3,2-b]carbazole?
2,8-dibromoindolo[3,2-b]carbazole has a molecular weight of 412.08 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromoindolo[3,2-b]carbazole is sourced from PubChem (CID 86811096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).