9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole

C24H22Br2N4 — CID 102467763

IUPAC9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole
SMILESBrc1ccc(Br)c2nn(CCCCCCn3c4ccccc4c4ccccc43)nc12
InChIInChI=1S/C24H22Br2N4/c25-19-13-14-20(26)24-23(19)27-30(28-24)16-8-2-1-7-15-29-21-11-5-3-9-17(21)18-10-4-6-12-22(18)29/h3-6,9-14H,1-2,7-8,15-16H2
InChIKeyUAAOSUMEORVGLT-UHFFFAOYSA-N
MW526.28 g/mol
LogP7.32
Rot. Bonds7

About 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole

9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole (PubChem CID 102467763) has the molecular formula C24H22Br2N4 and a molecular weight of 526.28 g/mol. Its IUPAC name is 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole.

Molecular Properties

Compound Name9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole
PubChem CID102467763
Molecular FormulaC24H22Br2N4
Molecular Weight526.28 g/mol
Exact Mass524.02
IUPAC Name9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole
SMILESBrc1ccc(Br)c2nn(CCCCCCn3c4ccccc4c4ccccc43)nc12
InChIInChI=1S/C24H22Br2N4/c25-19-13-14-20(26)24-23(19)27-30(28-24)16-8-2-1-7-15-29-21-11-5-3-9-17(21)18-10-4-6-12-22(18)29/h3-6,9-14H,1-2,7-8,15-16H2
InChIKeyUAAOSUMEORVGLT-UHFFFAOYSA-N
XLogP7.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.28
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5,8-dibromo-3-(9-hexylcarbazol-3-yl)quinoxalin-2-yl]-9-hexylcarbazole
CID 132603981
9-hexadecylcarbazole
CID 4166588
9-(6-chlorohexyl)carbazole
CID 63465812
9-docosylcarbazole
CID 10528568
9-(6-iodohexyl)carbazole
CID 15110912
benzene;9-octylcarbazole
CID 175067369
5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419
1,2-dibromo-9-hexylcarbazole
CID 141427471
9-(4-pyrrol-1-ylbutyl)carbazole
CID 14745805
1-bromo-9-heptadecylcarbazole
CID 174836685
9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
CID 141391758
9-(3-chloropropyl)carbazole
CID 14737436

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole?
The IUPAC name of 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole (CID 102467763) is 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole.
What is the SMILES notation for 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole?
The canonical SMILES for 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole is Brc1ccc(Br)c2nn(CCCCCCn3c4ccccc4c4ccccc43)nc12.
What is the InChIKey of 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole?
The InChIKey is UAAOSUMEORVGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N4/c25-19-13-14-20(26)24-23(19)27-30(28-24)16-8-2-1-7-15-29-21-11-5-3-9-17(21)18-10-4-6-12-22(18)29/h3-6,9-14H,1-2,7-8,15-16H2.
What are the key properties of 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole?
9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole has a molecular weight of 526.28 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4,7-dibromobenzotriazol-2-yl)hexyl]carbazole is sourced from PubChem (CID 102467763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).