9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole

C20H14BrN5 — CID 57457084

IUPAC9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
SMILESBrc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C20H14BrN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20-22-24-25-23-20/h1-11H,12H2,(H,22,23,24,25)
InChIKeyAQXYTXIDHZZXAQ-UHFFFAOYSA-N
MW404.27 g/mol
LogP4.79
Rot. Bonds3

About 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole

9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole (PubChem CID 57457084) has the molecular formula C20H14BrN5 and a molecular weight of 404.27 g/mol. Its IUPAC name is 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole.

Molecular Properties

Compound Name9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
PubChem CID57457084
Molecular FormulaC20H14BrN5
Molecular Weight404.27 g/mol
Exact Mass403.04
IUPAC Name9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
SMILESBrc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C20H14BrN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20-22-24-25-23-20/h1-11H,12H2,(H,22,23,24,25)
InChIKeyAQXYTXIDHZZXAQ-UHFFFAOYSA-N
XLogP4.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457088
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
CID 57457097
9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457101
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
CID 51049466
9-benzyl-2-bromocarbazole
CID 123133636
2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide
CID 91182343
4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
CID 54726671
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
5-(9-benzylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 170946861
9-benzyl-3-(2,6-dipyridin-4-yl-4-pyridinyl)carbazole
CID 138115736
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307

Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The IUPAC name of 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole (CID 57457084) is 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole.
What is the SMILES notation for 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The canonical SMILES for 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole is Brc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1.
What is the InChIKey of 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The InChIKey is AQXYTXIDHZZXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20-22-24-25-23-20/h1-11H,12H2,(H,22,23,24,25).
What are the key properties of 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole has a molecular weight of 404.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole is sourced from PubChem (CID 57457084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).