1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C21H16Br2N4O — CID 2858891

IUPAC1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1nnc2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H16Br2N4O/c22-13-5-7-19-16(9-13)17-10-14(23)6-8-20(17)26(19)11-15(28)12-27-21-4-2-1-3-18(21)24-25-27/h1-10,15,28H,11-12H2
InChIKeyUKHSRZJVKOZGAD-UHFFFAOYSA-N
MW500.19 g/mol
LogP5.13
Rot. Bonds4

About 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 2858891) has the molecular formula C21H16Br2N4O and a molecular weight of 500.19 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID2858891
Molecular FormulaC21H16Br2N4O
Molecular Weight500.19 g/mol
Exact Mass497.97
IUPAC Name1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1nnc2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H16Br2N4O/c22-13-5-7-19-16(9-13)17-10-14(23)6-8-20(17)26(19)11-15(28)12-27-21-4-2-1-3-18(21)24-25-27/h1-10,15,28H,11-12H2
InChIKeyUKHSRZJVKOZGAD-UHFFFAOYSA-N
XLogP5.13
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.19
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylamino)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 3125888
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
(S)-wiskostatin
CID 448668
3,6-Dibromo-9-(2-hydroxy-3-morpholinopropyl)carbazole
CID 567942
1-(3,6-Dibromocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802127
3,6-Dibromo-alpha-[(phenylamino)methyl]-9H-carbazole-9-ethanol
CID 2836187
1-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-ol
CID 2854573
1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol
CID 2729027
1-(3,6-Dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836156
1-(3,6-dibromo-9H-carbazol-9-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 2836182
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 2851937
1-[3-(3,6-dibromo-9H-carbazol-9-yl)-2-hydroxypropyl]-4,6-dimethyl-2(1H)-pyrimidinone
CID 2854692

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 2858891) is 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is OC(Cn1nnc2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is UKHSRZJVKOZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2N4O/c22-13-5-7-19-16(9-13)17-10-14(23)6-8-20(17)26(19)11-15(28)12-27-21-4-2-1-3-18(21)24-25-27/h1-10,15,28H,11-12H2.
What are the key properties of 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 500.19 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2858891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).