1,2,3,6,7,8-hexabromo-9H-carbazole

C12H3Br6N — CID 71370431

IUPAC1,2,3,6,7,8-hexabromo-9H-carbazole
SMILESBrc1cc2c([nH]c3c(Br)c(Br)c(Br)cc32)c(Br)c1Br
InChIInChI=1S/C12H3Br6N/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2,19H
InChIKeyOTNHHKXTYSAHFW-UHFFFAOYSA-N
MW640.59 g/mol
LogP7.90
Rot. Bonds

About 1,2,3,6,7,8-hexabromo-9H-carbazole

1,2,3,6,7,8-hexabromo-9H-carbazole (PubChem CID 71370431) has the molecular formula C12H3Br6N and a molecular weight of 640.59 g/mol. Its IUPAC name is 1,2,3,6,7,8-hexabromo-9H-carbazole.

Molecular Properties

Compound Name1,2,3,6,7,8-hexabromo-9H-carbazole
PubChem CID71370431
Molecular FormulaC12H3Br6N
Molecular Weight640.59 g/mol
Exact Mass634.54
IUPAC Name1,2,3,6,7,8-hexabromo-9H-carbazole
SMILESBrc1cc2c([nH]c3c(Br)c(Br)c(Br)cc32)c(Br)c1Br
InChIInChI=1S/C12H3Br6N/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2,19H
InChIKeyOTNHHKXTYSAHFW-UHFFFAOYSA-N
XLogP7.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.59
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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4,5-dibromo-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-1,3,5,7,9,11,13-heptaene
CID 123634923
1,2,4,6,7,9-hexabromodibenzo-p-dioxin
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1,2,3-tribromo-4,5-dichlorobenzene
CID 643343
3,4,6-tribromo-9H-carbazol-1-ol
CID 58248320
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CID 169433966
1,3,6,8-tetrafluoro-9H-carbazole
CID 163211724
9H-carbazole-1,3,6,8-tetrol
CID 68824527
1-bromo-3,6-dimethyl-9H-carbazole
CID 155672564
3,4,5-tribromo-2-(2,3-dibromo-4-hydroxyphenoxy)phenol
CID 20847463
1,2,3,6-tetrabromodibenzofuran
CID 526230

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,8-hexabromo-9H-carbazole?
The IUPAC name of 1,2,3,6,7,8-hexabromo-9H-carbazole (CID 71370431) is 1,2,3,6,7,8-hexabromo-9H-carbazole.
What is the SMILES notation for 1,2,3,6,7,8-hexabromo-9H-carbazole?
The canonical SMILES for 1,2,3,6,7,8-hexabromo-9H-carbazole is Brc1cc2c([nH]c3c(Br)c(Br)c(Br)cc32)c(Br)c1Br.
What is the InChIKey of 1,2,3,6,7,8-hexabromo-9H-carbazole?
The InChIKey is OTNHHKXTYSAHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Br6N/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2,19H.
What are the key properties of 1,2,3,6,7,8-hexabromo-9H-carbazole?
1,2,3,6,7,8-hexabromo-9H-carbazole has a molecular weight of 640.59 g/mol, XLogP of 7.90, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8-hexabromo-9H-carbazole is sourced from PubChem (CID 71370431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).