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79534-91-1 | BENZIMIDAZOLE PERYLENE
CAS No: 79534-91-1 Catalog No: AG008LXB MDL No:
Product Description
Catalog Number:
AG008LXB
Chemical Name:
BENZIMIDAZOLE PERYLENE
CAS Number:
79534-91-1
Molecular Formula:
C27H18N2
Molecular Weight:
370.4452
IUPAC Name:
7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione
InChI:
InChI=1S/2C36H16N4O2/c41-35-23-15-11-19-18-10-14-22-32-24(36(42)40-28-8-4-2-6-26(28)38-34(22)40)16-12-20(30(18)32)17-9-13-21(31(23)29(17)19)33-37-25-5-1-3-7-27(25)39(33)35;41-35-23-15-11-19-20-12-16-24-32-22(34-38-26-6-2-4-8-28(26)40(34)36(24)42)14-10-18(30(20)32)17-9-13-21(31(23)29(17)19)33-37-25-5-1-3-7-27(25)39(33)35/h2*1-16H
InChI Key:
XQNMSKCVXVXEJT-UHFFFAOYSA-N
SMILES:
c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2.c1ccc2c(c1)[nH]cn2
Properties
Complexity:
2200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1072.255g/mol
Formal Charge:
0
Heavy Atom Count:
84
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1073.1g/mol
Monoisotopic Mass:
1072.255g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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