2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium

C23H23N4+ — CID 44630123

IUPAC2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
SMILESCCc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C23H23N4/c1-3-18-10-14-21(15-11-18)26-24-23(20-8-6-5-7-9-20)25-27(26)22-16-12-19(4-2)13-17-22/h5-17H,3-4H2,1-2H3/q+1
InChIKeyMQKBOJCDUOOOLG-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.34
Rot. Bonds5

About 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium

2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium (PubChem CID 44630123) has the molecular formula C23H23N4+ and a molecular weight of 355.47 g/mol. Its IUPAC name is 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium.

Molecular Properties

Compound Name2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
PubChem CID44630123
Molecular FormulaC23H23N4+
Molecular Weight355.47 g/mol
Exact Mass355.19
IUPAC Name2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
SMILESCCc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C23H23N4/c1-3-18-10-14-21(15-11-18)26-24-23(20-8-6-5-7-9-20)25-27(26)22-16-12-19(4-2)13-17-22/h5-17H,3-4H2,1-2H3/q+1
InChIKeyMQKBOJCDUOOOLG-UHFFFAOYSA-N
XLogP4.34
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium?
The IUPAC name of 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium (CID 44630123) is 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium.
What is the SMILES notation for 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium?
The canonical SMILES for 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium is CCc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(CC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium?
The InChIKey is MQKBOJCDUOOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4/c1-3-18-10-14-21(15-11-18)26-24-23(20-8-6-5-7-9-20)25-27(26)22-16-12-19(4-2)13-17-22/h5-17H,3-4H2,1-2H3/q+1.
What are the key properties of 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium?
2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium has a molecular weight of 355.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium is sourced from PubChem (CID 44630123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).