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130017-93-5 | 9H-Carbazole-2,7-diamine, N2,N2,N7,N7,9-pentaphenyl-
CAS No: 130017-93-5 Catalog No: AG000TX7 MDL No:
Product Description
Catalog Number:
AG000TX7
Chemical Name:
9H-Carbazole-2,7-diamine, N2,N2,N7,N7,9-pentaphenyl-
CAS Number:
130017-93-5
Molecular Formula:
C42H31N3
Molecular Weight:
577.7156
IUPAC Name:
2-N,2-N,7-N,7-N,9-pentakis-phenylcarbazole-2,7-diamine
InChI:
InChI=1S/C42H31N3/c1-6-16-32(17-7-1)43(33-18-8-2-9-19-33)37-26-28-39-40-29-27-38(31-42(40)45(41(39)30-37)36-24-14-5-15-25-36)44(34-20-10-3-11-21-34)35-22-12-4-13-23-35/h1-31H
InChI Key:
CHUUVLSAOHDTHV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1c2cc(ccc2c2c1cc(cc2)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
577.252g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
577.731g/mol
Monoisotopic Mass:
577.252g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
11.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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