1,2,3,4-tetrabromo-9H-carbazole

C12H5Br4N — CID 70631482

IUPAC1,2,3,4-tetrabromo-9H-carbazole
SMILESBrc1c(Br)c(Br)c2c([nH]c3ccccc32)c1Br
InChIInChI=1S/C12H5Br4N/c13-8-7-5-3-1-2-4-6(5)17-12(7)11(16)10(15)9(8)14/h1-4,17H
InChIKeyJXQITLOHBIYZNO-UHFFFAOYSA-N
MW482.80 g/mol
LogP6.37
Rot. Bonds

About 1,2,3,4-tetrabromo-9H-carbazole

1,2,3,4-tetrabromo-9H-carbazole (PubChem CID 70631482) has the molecular formula C12H5Br4N and a molecular weight of 482.80 g/mol. Its IUPAC name is 1,2,3,4-tetrabromo-9H-carbazole.

Molecular Properties

Compound Name1,2,3,4-tetrabromo-9H-carbazole
PubChem CID70631482
Molecular FormulaC12H5Br4N
Molecular Weight482.80 g/mol
Exact Mass478.72
IUPAC Name1,2,3,4-tetrabromo-9H-carbazole
SMILESBrc1c(Br)c(Br)c2c([nH]c3ccccc32)c1Br
InChIInChI=1S/C12H5Br4N/c13-8-7-5-3-1-2-4-6(5)17-12(7)11(16)10(15)9(8)14/h1-4,17H
InChIKeyJXQITLOHBIYZNO-UHFFFAOYSA-N
XLogP6.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.80
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
12-bromo-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
CID 23583607
6,12-dibromo-5,11-dihydroindeno[1,2-b]carbazole
CID 159885626
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
4-bromo-2,9-dihydropyrido[3,4-b]indol-1-one
CID 178165297
1-bromo-4-phenyl-9H-carbazole
CID 152676128
12-bromo-7H-[1]benzofuro[2,3-b]carbazole
CID 146019056
9H-carbazole
CID 66668984
4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13,15,17-hexaene-3,5,8,10-tetrone
CID 10086414
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrabromo-9H-carbazole?
The IUPAC name of 1,2,3,4-tetrabromo-9H-carbazole (CID 70631482) is 1,2,3,4-tetrabromo-9H-carbazole.
What is the SMILES notation for 1,2,3,4-tetrabromo-9H-carbazole?
The canonical SMILES for 1,2,3,4-tetrabromo-9H-carbazole is Brc1c(Br)c(Br)c2c([nH]c3ccccc32)c1Br.
What is the InChIKey of 1,2,3,4-tetrabromo-9H-carbazole?
The InChIKey is JXQITLOHBIYZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br4N/c13-8-7-5-3-1-2-4-6(5)17-12(7)11(16)10(15)9(8)14/h1-4,17H.
What are the key properties of 1,2,3,4-tetrabromo-9H-carbazole?
1,2,3,4-tetrabromo-9H-carbazole has a molecular weight of 482.80 g/mol, XLogP of 6.37, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrabromo-9H-carbazole is sourced from PubChem (CID 70631482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).