2,2-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1-(2,4,6-trinitrophenyl)hydrazin-1-yl

2,2-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1-(2,4,6-trinitrophenyl)hydrazin-1-yl

CAS: 84077-81-6

Formula: C34H44N5O6

SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)N([N]C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C1=CC=C(C=C1)C(C)(C)CC(C)(C)C

IUPAC: 2,2-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1-(2,4,6-trinitrophenyl)hydrazin-1-yl

InChI: InChI=1S/C34H44N5O6/c1-31(2,3)21-33(7,8)23-11-15-25(16-12-23)36(26-17-13-24(14-18-26)34(9,10)22-32(4,5)6)35-30-28(38(42)43)19-27(37(40)41)20-29(30)39(44)45/h11-20H,21-22H2,1-10H3

Composition: C (66.00%), H (7.17%), N (11.32%), O (15.51%)

Molar Mass: 618.755

Atom Count: 89

Heavy Atom Count: 45

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	618.329159157
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
InChIKey	CLOCMRDQPYXVKP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	187
Topological Polar Surface Area	141.89
Polarizability	66.36
Ring Count	3
Rotatable Bond Count	13

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