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1196107-75-1

1196107-75-1 | 13H-Indeno[1,2-b]anthracene, 2-bromo-13,13-dimethyl-6,11-di-2-naphthalenyl-

CAS No: 1196107-75-1 Catalog No: AG000P9S MDL No:MFCD28048411

Product Description

Catalog Number:
AG000P9S
Chemical Name:
13H-Indeno[1,2-b]anthracene, 2-bromo-13,13-dimethyl-6,11-di-2-naphthalenyl-
CAS Number:
1196107-75-1
Molecular Formula:
C43H29Br
Molecular Weight:
625.5944
MDL Number:
MFCD28048411
IUPAC Name:
7-bromo-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
InChI:
InChI=1S/C43H29Br/c1-43(2)39-23-32(44)19-20-33(39)36-24-37-38(25-40(36)43)42(31-18-16-27-10-4-6-12-29(27)22-31)35-14-8-7-13-34(35)41(37)30-17-15-26-9-3-5-11-28(26)21-30/h3-25H,1-2H3
InChI Key:
CERVAJOMYJBUAB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(C)(C)c1c2cc2c(c1)c(c1ccc3c(c1)cccc3)c1c(c2c2ccc3c(c2)cccc3)cccc1

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.145g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
625.609g/mol
Monoisotopic Mass:
624.145g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4  

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