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

C28H20N8 — CID 146430659

IUPAC5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
SMILESc1ccc(C(=C(c2ccc(-c3nn[nH]n3)cc2)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H20N8/c1-3-7-19(8-4-1)25(20-9-5-2-6-10-20)26(21-11-15-23(16-12-21)27-29-33-34-30-27)22-13-17-24(18-14-22)28-31-35-36-32-28/h1-18H,(H,29,30,33,34)(H,31,32,35,36)
InChIKeyBSBWQOYPRPHZPB-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.05
Rot. Bonds6

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

5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole (PubChem CID 146430659) has the molecular formula C28H20N8 and a molecular weight of 468.52 g/mol. Its IUPAC name is 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
PubChem CID146430659
Molecular FormulaC28H20N8
Molecular Weight468.52 g/mol
Exact Mass468.18
IUPAC Name5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
SMILESc1ccc(C(=C(c2ccc(-c3nn[nH]n3)cc2)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H20N8/c1-3-7-19(8-4-1)25(20-9-5-2-6-10-20)26(21-11-15-23(16-12-21)27-29-33-34-30-27)22-13-17-24(18-14-22)28-31-35-36-32-28/h1-18H,(H,29,30,33,34)(H,31,32,35,36)
InChIKeyBSBWQOYPRPHZPB-UHFFFAOYSA-N
XLogP5.05
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2,2-diphenyl-1-[4-(4H-pyrazol-3-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 158761008
CID 175020702
CID 175020702
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 138548269
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 170824705
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole
CID 59963142

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole (CID 146430659) is 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole is c1ccc(C(=C(c2ccc(-c3nn[nH]n3)cc2)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2)cc1.
What is the InChIKey of 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
The InChIKey is BSBWQOYPRPHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N8/c1-3-7-19(8-4-1)25(20-9-5-2-6-10-20)26(21-11-15-23(16-12-21)27-29-33-34-30-27)22-13-17-24(18-14-22)28-31-35-36-32-28/h1-18H,(H,29,30,33,34)(H,31,32,35,36).
What are the key properties of 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole?
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole has a molecular weight of 468.52 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 146430659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).