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114138-54-4 | 9H-Carbazole, 3,3'-([1,1'-biphenyl]-4-ylmethylene)bis[9-ethyl- (9CI)
CAS No: 114138-54-4 Catalog No: AG000AMO MDL No:
Product Description
Catalog Number:
AG000AMO
Chemical Name:
9H-Carbazole, 3,3'-([1,1'-biphenyl]-4-ylmethylene)bis[9-ethyl- (9CI)
CAS Number:
114138-54-4
Molecular Formula:
C41H34N2
Molecular Weight:
554.7221
IUPAC Name:
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
InChI:
InChI=1S/C41H34N2/c1-3-42-37-16-10-8-14-33(37)35-26-31(22-24-39(35)42)41(30-20-18-29(19-21-30)28-12-6-5-7-13-28)32-23-25-40-36(27-32)34-15-9-11-17-38(34)43(40)4-2/h5-27,41H,3-4H2,1-2H3
InChI Key:
GZVFGNNZTMZJQJ-UHFFFAOYSA-N
SMILES:
CCn1c2ccc(cc2c2c1cccc2)C(c1ccc2c(c1)c1ccccc1n2CC)c1ccc(cc1)c1ccccc1
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.272g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.737g/mol
Monoisotopic Mass:
554.272g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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