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832077-42-6 | 3H-Naphtho[2,1-b]pyran, 3-[2,2'-bithiophen]-5-yl-3-phenyl-
CAS No: 832077-42-6 Catalog No: AG004ZZI MDL No:
Product Description
Catalog Number:
AG004ZZI
Chemical Name:
3H-Naphtho[2,1-b]pyran, 3-[2,2'-bithiophen]-5-yl-3-phenyl-
CAS Number:
832077-42-6
Molecular Formula:
C27H18OS2
Molecular Weight:
422.5612
IUPAC Name:
3-phenyl-3-(5-thiophen-2-ylthiophen-2-yl)benzo[f]chromene
InChI:
InChI=1S/C27H18OS2/c1-2-8-20(9-3-1)27(26-15-14-25(30-26)24-11-6-18-29-24)17-16-22-21-10-5-4-7-19(21)12-13-23(22)28-27/h1-18H
InChI Key:
MNTFCNMYPKWTGX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(C=Cc2c(O1)ccc1c2cccc1)c1ccc(s1)c1cccs1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.08g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.56g/mol
Monoisotopic Mass:
422.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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