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869799-62-2 | 5H-Pyrido[4,3-b]indole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[8-phenyl-
CAS No: 869799-62-2 Catalog No: AG004KT7 MDL No:
Product Description
Catalog Number:
AG004KT7
Chemical Name:
5H-Pyrido[4,3-b]indole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[8-phenyl-
CAS Number:
869799-62-2
Molecular Formula:
C46H30N4
Molecular Weight:
638.7572
IUPAC Name:
8-phenyl-5-[4-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole
InChI:
InChI=1S/C46H30N4/c1-3-7-31(8-4-1)35-15-21-43-39(27-35)41-29-47-25-23-45(41)49(43)37-17-11-33(12-18-37)34-13-19-38(20-14-34)50-44-22-16-36(32-9-5-2-6-10-32)28-40(44)42-30-48-26-24-46(42)50/h1-30H
InChI Key:
ZFYRTLGDGSGALV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc2c(c1)c1cnccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccnc2)c1ccccc1
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
638.247g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
638.774g/mol
Monoisotopic Mass:
638.247g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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