3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole

C23H19BrN4 — CID 139237548

IUPAC3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2cc(-c3cn(Cc4ccccc4)nn3)ccc21
InChIInChI=1S/C23H19BrN4/c1-2-28-22-10-8-17(12-19(22)20-13-18(24)9-11-23(20)28)21-15-27(26-25-21)14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3
InChIKeyRZOMSKKMILNFAU-UHFFFAOYSA-N
MW431.34 g/mol
LogP5.88
Rot. Bonds4

About 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole

3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole (PubChem CID 139237548) has the molecular formula C23H19BrN4 and a molecular weight of 431.34 g/mol. Its IUPAC name is 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole.

Molecular Properties

Compound Name3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole
PubChem CID139237548
Molecular FormulaC23H19BrN4
Molecular Weight431.34 g/mol
Exact Mass430.08
IUPAC Name3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole
SMILESCCn1c2ccc(Br)cc2c2cc(-c3cn(Cc4ccccc4)nn3)ccc21
InChIInChI=1S/C23H19BrN4/c1-2-28-22-10-8-17(12-19(22)20-13-18(24)9-11-23(20)28)21-15-27(26-25-21)14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3
InChIKeyRZOMSKKMILNFAU-UHFFFAOYSA-N
XLogP5.88
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mbq-167
CID 129896932
1-(Benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
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5-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14146974
16-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14783706
6-bromo-2-(3-phenylpropyl)-9H-pyrido[3,4-b]indol-2-ium bromide
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6-bromo-2-(naphthalen-1-ylmethyl)-9H-pyrido[3,4-b]indol-2-ium bromide
CID 46237762
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CID 72734840
5-bromo-3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 72734842
2-[[1-(4-Bromophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155523755
9-[[1-(Pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
CID 155537853
1-(3-Bromophenyl)-2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole?
The IUPAC name of 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole (CID 139237548) is 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole.
What is the SMILES notation for 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole?
The canonical SMILES for 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole is CCn1c2ccc(Br)cc2c2cc(-c3cn(Cc4ccccc4)nn3)ccc21.
What is the InChIKey of 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole?
The InChIKey is RZOMSKKMILNFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4/c1-2-28-22-10-8-17(12-19(22)20-13-18(24)9-11-23(20)28)21-15-27(26-25-21)14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3.
What are the key properties of 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole?
3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole has a molecular weight of 431.34 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyltriazol-4-yl)-6-bromo-9-ethylcarbazole is sourced from PubChem (CID 139237548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).