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Home > Fluorides > 821785-16-4
821785-16-4 | 9H-Carbazole, 3,6-bis(9,9'-spirobi[9H-fluoren]-2-yl)-
CAS No: 821785-16-4 Catalog No: AG00578O MDL No:
Product Description
Catalog Number:
AG00578O
Chemical Name:
9H-Carbazole, 3,6-bis(9,9'-spirobi[9H-fluoren]-2-yl)-
CAS Number:
821785-16-4
Molecular Formula:
C62H37N
Molecular Weight:
795.9639
IUPAC Name:
3,6-bis(9,9'-spirobi[fluorene]-2-yl)-9H-carbazole
InChI:
InChI=1S/C62H37N/c1-7-19-51-41(13-1)42-14-2-8-20-52(42)61(51)55-23-11-5-17-45(55)47-29-25-39(35-57(47)61)37-27-31-59-49(33-37)50-34-38(28-32-60(50)63-59)40-26-30-48-46-18-6-12-24-56(46)62(58(48)36-40)53-21-9-3-15-43(53)44-16-4-10-22-54(44)62/h1-36,63H
InChI Key:
FMGZFJUVSLTUSL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccc(cc1C12c2ccccc2c2c1cccc2)c1ccc2c(c1)c1cc(ccc1[nH]2)c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2c1cccc2
Properties
Complexity:
1510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
795.293g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
795.985g/mol
Monoisotopic Mass:
795.293g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.5
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