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188-91-0 | Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene
CAS No: 188-91-0 Catalog No: AG002GNQ MDL No:
Product Description
Catalog Number:
AG002GNQ
Chemical Name:
Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene
CAS Number:
188-91-0
Molecular Formula:
C32H16
Molecular Weight:
400.4694
IUPAC Name:
nonacyclo[25.3.1.112,16.02,15.05,14.08,13.017,30.020,29.023,28]dotriaconta-1(31),2(15),3,5(14),6,8(13),9,11,16(32),17(30),18,20(29),21,23(28),24,26-hexadecaene
InChI:
InChI=1S/C32H16/c1-3-17-7-9-19-11-14-24-26-16-22-6-2-4-18-8-10-20-12-13-23(32(26)30(20)28(18)22)25-15-21(5-1)27(17)29(19)31(24)25/h1-16H
InChI Key:
WFQNIRXOYGZPPK-UHFFFAOYSA-N
SMILES:
c1cc2cc3c4ccc5c6c4c(c4c3c3c2c(c1)ccc3cc4)cc1c6c(cc5)ccc1
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.125g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.48g/mol
Monoisotopic Mass:
400.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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