1,1'-(3,3'-Dimethoxy-4,4'-biphenylylene)bis(3,5-diphenylformazane)
Basic information
- CAS
23305-71-7- Standard SMILES
COc1cc(-c2ccc(N3NN(c4ccccc4)N=C3c3ccccc3)c(OC)c2)ccc1N1NN(c2ccccc2)N=C1c1ccccc1- InChIKey
HPQZHRVFWDLPEY-UHFFFAOYSA-N- Molecular formula
- C40H34N8O2
- Average molar mass
- 658.7 g/mol
- Monoisotopic mass
- 658.28047236
Names & identifiers
- Preferred name
- 1,1'-(3,3'-Dimethoxy-4,4'-biphenylylene)bis(3,5-diphenylformazane)
- IUPAC
- 1-[4-[4-(3,5-diphenyl-2H-tetrazol-1-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyl-2H-tetrazole
Names & synonyms
23305-71-7EINECS 245-567-71,1'-(3,3'-Dimethoxy-4,4'-biphenylylene)bis(3,5-diphenylformazane)1,1'-(3,3'-dimethoxy-4,4'-biphenylylene)bis[3,5-diphenylformazane]RefChem:211986245-567-71,1'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3,5-diphenyl-2,3-dihydro-1h-tetrazole)1-[4-[4-(3,5-diphenyl-2H-tetrazol-1-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyl-2H-tetrazoleDTXSID40945981NS000521781,1'-(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(3,5-diphenyl-2,3-dihydro-1H-tetrazole)
Database identifiers
- CAS
23305-71-7- PubChem CID
- 90060
- DTXSID
DTXSID40945981- EC Number
- 245-567-7
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,060
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H350 (100%): May cause cancer [Danger Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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