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146831-32-5 | 9H-Carbazole, 9,9'-(1,4-phenylene)bis[3,6-bis(1,1-dimethylethyl)-
CAS No: 146831-32-5 Catalog No: AG001ECZ MDL No:
Product Description
Catalog Number:
AG001ECZ
Chemical Name:
9H-Carbazole, 9,9'-(1,4-phenylene)bis[3,6-bis(1,1-dimethylethyl)-
CAS Number:
146831-32-5
Molecular Formula:
C46H52N2
Molecular Weight:
632.9185
IUPAC Name:
3,6-ditert-butyl-9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole
InChI:
InChI=1S/C46H52N2/c1-43(2,3)29-13-21-39-35(25-29)36-26-30(44(4,5)6)14-22-40(36)47(39)33-17-19-34(20-18-33)48-41-23-15-31(45(7,8)9)27-37(41)38-28-32(46(10,11)12)16-24-42(38)48/h13-28H,1-12H3
InChI Key:
HIRKUGKHACHTMW-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
939
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
632.413g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.936g/mol
Monoisotopic Mass:
632.413g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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