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113567-80-9 | 1,4-Methanonaphthalene, 1,2,3,4-tetrahydro-5,6,7,8-tetraphenyl-
CAS No: 113567-80-9 Catalog No: AG00090L MDL No:
Product Description
Catalog Number:
AG00090L
Chemical Name:
1,4-Methanonaphthalene, 1,2,3,4-tetrahydro-5,6,7,8-tetraphenyl-
CAS Number:
113567-80-9
Molecular Formula:
C35H28
Molecular Weight:
448.5968
IUPAC Name:
3,4,5,6-tetraphenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
InChI:
InChI=1S/C35H28/c1-5-13-24(14-6-1)30-31(25-15-7-2-8-16-25)33(27-19-11-4-12-20-27)35-29-22-21-28(23-29)34(35)32(30)26-17-9-3-10-18-26/h1-20,28-29H,21-23H2
InChI Key:
UQIHVUUIKGSYII-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1c(c2ccccc2)c2C3CCC(c2c(c1c1ccccc1)c1ccccc1)C3
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.219g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.609g/mol
Monoisotopic Mass:
448.219g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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