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

C20H14N6O2 — CID 57457101

IUPAC9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
SMILESO=[N+]([O-])c1cccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)c1
InChIInChI=1S/C20H14N6O2/c27-26(28)15-5-3-4-13(10-15)12-25-18-7-2-1-6-16(18)17-11-14(8-9-19(17)25)20-21-23-24-22-20/h1-11H,12H2,(H,21,22,23,24)
InChIKeyYGQRFYHDNFXAPC-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.93
Rot. Bonds4

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

9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole (PubChem CID 57457101) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole.

Molecular Properties

Compound Name9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
PubChem CID57457101
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
SMILESO=[N+]([O-])c1cccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)c1
InChIInChI=1S/C20H14N6O2/c27-26(28)15-5-3-4-13(10-15)12-25-18-7-2-1-6-16(18)17-11-14(8-9-19(17)25)20-21-23-24-22-20/h1-11H,12H2,(H,21,22,23,24)
InChIKeyYGQRFYHDNFXAPC-UHFFFAOYSA-N
XLogP3.93
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457088
9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457084
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-benzyl-3,6-dinitrocarbazole
CID 5059102
2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole
CID 134281193
2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
10-benzyl-2-nitroacridin-9-one
CID 12751568
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407

Frequently Asked Questions

What is the IUPAC name of 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The IUPAC name of 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole (CID 57457101) is 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole.
What is the SMILES notation for 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The canonical SMILES for 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole is O=[N+]([O-])c1cccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)c1.
What is the InChIKey of 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The InChIKey is YGQRFYHDNFXAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c27-26(28)15-5-3-4-13(10-15)12-25-18-7-2-1-6-16(18)17-11-14(8-9-19(17)25)20-21-23-24-22-20/h1-11H,12H2,(H,21,22,23,24).
What are the key properties of 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole has a molecular weight of 370.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole is sourced from PubChem (CID 57457101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).