5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole

C30H22N6 — CID 158761008

IUPAC5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
SMILESC1=NN=C(c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccc(-c4nn[nH]n4)cc3)cc2)C1
InChIInChI=1S/C30H22N6/c1-3-7-22(8-4-1)28(23-9-5-2-6-10-23)29(24-13-11-21(12-14-24)27-19-20-31-32-27)25-15-17-26(18-16-25)30-33-35-36-34-30/h1-18,20H,19H2,(H,33,34,35,36)
InChIKeyMABFBVHEWRKLDD-UHFFFAOYSA-N
MW466.55 g/mol
LogP6.05
Rot. Bonds6

About 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole

5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole (PubChem CID 158761008) has the molecular formula C30H22N6 and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
PubChem CID158761008
Molecular FormulaC30H22N6
Molecular Weight466.55 g/mol
Exact Mass466.19
IUPAC Name5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
SMILESC1=NN=C(c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccc(-c4nn[nH]n4)cc3)cc2)C1
InChIInChI=1S/C30H22N6/c1-3-7-22(8-4-1)28(23-9-5-2-6-10-23)29(24-13-11-21(12-14-24)27-19-20-31-32-27)25-15-17-26(18-16-25)30-33-35-36-34-30/h1-18,20H,19H2,(H,33,34,35,36)
InChIKeyMABFBVHEWRKLDD-UHFFFAOYSA-N
XLogP6.05
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole (CID 158761008) is 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole is C1=NN=C(c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccc(-c4nn[nH]n4)cc3)cc2)C1.
What is the InChIKey of 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
The InChIKey is MABFBVHEWRKLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6/c1-3-7-22(8-4-1)28(23-9-5-2-6-10-23)29(24-13-11-21(12-14-24)27-19-20-31-32-27)25-15-17-26(18-16-25)30-33-35-36-34-30/h1-18,20H,19H2,(H,33,34,35,36).
What are the key properties of 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole has a molecular weight of 466.55 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 158761008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).