3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole

C64H61BrN8O4 — CID 157259604

IUPAC3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole
SMILESCCCn1c2ccccc2c2cc(-c3nnco3)ccc21.CCCn1c2ccccc2c2cc(Br)ccc21.CCCn1c2ccccc2c2cc(C(=O)NN)ccc21.CCCn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H15N3O.C16H17N3O.C16H15NO2.C15H14BrN/c1-2-9-20-15-6-4-3-5-13(15)14-10-12(7-8-16(14)20)17-19-18-11-21-17;1-2-9-19-14-6-4-3-5-12(14)13-10-11(16(20)18-17)7-8-15(13)19;1-2-9-17-14-6-4-3-5-12(14)13-10-11(16(18)19)7-8-15(13)17;1-2-9-17-14-6-4-3-5-12(14)13-10-11(16)7-8-15(13)17/h3-8,10-11H,2,9H2,1H3;3-8,10H,2,9,17H2,1H3,(H,18,20);3-8,10H,2,9H2,1H3,(H,18,19);3-8,10H,2,9H2,1H3
InChIKeyAXHMDIYZQOISAZ-UHFFFAOYSA-N
MW1086.15 g/mol
LogP15.93
Rot. Bonds11

About 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole

3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole (PubChem CID 157259604) has the molecular formula C64H61BrN8O4 and a molecular weight of 1086.15 g/mol. Its IUPAC name is 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole
PubChem CID157259604
Molecular FormulaC64H61BrN8O4
Molecular Weight1086.15 g/mol
Exact Mass1084.40
IUPAC Name3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole
SMILESCCCn1c2ccccc2c2cc(-c3nnco3)ccc21.CCCn1c2ccccc2c2cc(Br)ccc21.CCCn1c2ccccc2c2cc(C(=O)NN)ccc21.CCCn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H15N3O.C16H17N3O.C16H15NO2.C15H14BrN/c1-2-9-20-15-6-4-3-5-13(15)14-10-12(7-8-16(14)20)17-19-18-11-21-17;1-2-9-19-14-6-4-3-5-12(14)13-10-11(16(20)18-17)7-8-15(13)19;1-2-9-17-14-6-4-3-5-12(14)13-10-11(16(18)19)7-8-15(13)17;1-2-9-17-14-6-4-3-5-12(14)13-10-11(16)7-8-15(13)17/h3-8,10-11H,2,9H2,1H3;3-8,10H,2,9,17H2,1H3,(H,18,20);3-8,10H,2,9H2,1H3,(H,18,19);3-8,10H,2,9H2,1H3
InChIKeyAXHMDIYZQOISAZ-UHFFFAOYSA-N
XLogP15.93
TPSA151.06 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.15
LogP ≤ 515.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 157174591
7-bromo-3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane];methyl 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylate;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
CID 157206452
6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 157579510
2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
CID 158295036
6-Acetyl-9-propylcarbazole-3-carboxamide;6-acetyl-9-propylcarbazole-3-carboxylic acid;3-bromo-9-propylcarbazole;9-propylcarbazole-3-carboxylic acid
CID 158404469
2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;3-(9H-carbazol-3-yl)-9-phenylcarbazole;methane;2-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 159212514
2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole;methane;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
CID 159497100
9-benzyl-3-bromocarbazole;9-benzylcarbazole-3-carbohydrazide;9-benzylcarbazole-3-carboxylic acid;3-bromo-9H-carbazole
CID 160536867
2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 160622490
(4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;9H-carbazole;4-(carbazol-9-ylmethyl)-N-hydroxybenzamide;cyclohexanone;6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]-N-hydroxyhexanamide;ethyl 6-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)hexanoate;ethyl 6-[6-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydrocarbazol-9-yl]hexanoate;methyl 4-(bromomethyl)benzoate;methyl 4-(carbazol-9-ylmethyl)benzoate
CID 160859265
2-(9-Methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole
CID 132918621

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole (CID 157259604) is 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole is CCCn1c2ccccc2c2cc(-c3nnco3)ccc21.CCCn1c2ccccc2c2cc(Br)ccc21.CCCn1c2ccccc2c2cc(C(=O)NN)ccc21.CCCn1c2ccccc2c2cc(C(=O)O)ccc21.
What is the InChIKey of 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is AXHMDIYZQOISAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.C16H17N3O.C16H15NO2.C15H14BrN/c1-2-9-20-15-6-4-3-5-13(15)14-10-12(7-8-16(14)20)17-19-18-11-21-17;1-2-9-19-14-6-4-3-5-12(14)13-10-11(16(20)18-17)7-8-15(13)19;1-2-9-17-14-6-4-3-5-12(14)13-10-11(16(18)19)7-8-15(13)17;1-2-9-17-14-6-4-3-5-12(14)13-10-11(16)7-8-15(13)17/h3-8,10-11H,2,9H2,1H3;3-8,10H,2,9,17H2,1H3,(H,18,20);3-8,10H,2,9H2,1H3,(H,18,19);3-8,10H,2,9H2,1H3.
What are the key properties of 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole?
3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 1086.15 g/mol, XLogP of 15.93, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-propylcarbazole;9-propylcarbazole-3-carbohydrazide;9-propylcarbazole-3-carboxylic acid;2-(9-propylcarbazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 157259604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).