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307351-60-6 | Benzeneacetonitrile, 4-[(triphenylmethyl)amino]-α,α-bis[4-[(triphenylmethyl)amino]phenyl]-
CAS No: 307351-60-6 Catalog No: AG00313H MDL No:
Product Description
Catalog Number:
AG00313H
Chemical Name:
Benzeneacetonitrile, 4-[(triphenylmethyl)amino]-α,α-bis[4-[(triphenylmethyl)amino]phenyl]-
CAS Number:
307351-60-6
Molecular Formula:
C77H60N4
Molecular Weight:
1041.3271
IUPAC Name:
2,2,2-tris[4-(tritylamino)phenyl]acetonitrile
InChI:
InChI=1S/C77H60N4/c78-58-74(59-46-52-71(53-47-59)79-75(62-28-10-1-11-29-62,63-30-12-2-13-31-63)64-32-14-3-15-33-64,60-48-54-72(55-49-60)80-76(65-34-16-4-17-35-65,66-36-18-5-19-37-66)67-38-20-6-21-39-67)61-50-56-73(57-51-61)81-77(68-40-22-7-23-41-68,69-42-24-8-25-43-69)70-44-26-9-27-45-70/h1-57,79-81H
InChI Key:
RTIVSRHSHHLETM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccc(cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
1510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1040.482g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
1041.355g/mol
Monoisotopic Mass:
1040.482g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.7
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