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159703-67-0 | 1H-Benzimidazole, perylenediylbis- (9CI)
CAS No: 159703-67-0 Catalog No: AG001RBZ MDL No:
Product Description
Catalog Number:
AG001RBZ
Chemical Name:
1H-Benzimidazole, perylenediylbis- (9CI)
CAS Number:
159703-67-0
Molecular Formula:
C34H20N4
Molecular Weight:
484.5494
IUPAC Name:
1-[1-(benzimidazol-1-yl)perylen-2-yl]benzimidazole
InChI:
InChI=1S/C34H20N4/c1-3-16-28-26(14-1)35-19-37(28)30-18-22-10-7-12-24-23-11-5-8-21-9-6-13-25(31(21)23)33(32(22)24)34(30)38-20-36-27-15-2-4-17-29(27)38/h1-20H
InChI Key:
XQNOIFKGQZWFGE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ncn2c1c2c3cccc4c3c(c3c2c(cc1n1cnc2c1cccc2)ccc3)ccc4
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.169g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.562g/mol
Monoisotopic Mass:
484.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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