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

C26H19N5 — CID 90655274

IUPAC9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole
SMILESc1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C26H19N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-16H,17H2,(H,27,28,29,30)
InChIKeyBSSVNJGGIQWAGT-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.69
Rot. Bonds4

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

9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole (PubChem CID 90655274) has the molecular formula C26H19N5 and a molecular weight of 401.47 g/mol. Its IUPAC name is 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole
PubChem CID90655274
Molecular FormulaC26H19N5
Molecular Weight401.47 g/mol
Exact Mass401.16
IUPAC Name9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole
SMILESc1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C26H19N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-16H,17H2,(H,27,28,29,30)
InChIKeyBSSVNJGGIQWAGT-UHFFFAOYSA-N
XLogP5.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole?
The IUPAC name of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole (CID 90655274) is 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole.
What is the SMILES notation for 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole?
The canonical SMILES for 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole is c1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole?
The InChIKey is BSSVNJGGIQWAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-16H,17H2,(H,27,28,29,30).
What are the key properties of 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole?
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole has a molecular weight of 401.47 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbazole is sourced from PubChem (CID 90655274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).