tris[4-(diethylamino)phenyl]methylium chloride

tris[4-(diethylamino)phenyl]methylium chloride

CAS: 2390-59-2

Formula: C31H42ClN3

SMILES: [Cl-].CCN(CC)C1=CC=C(C=C1)[C+](C1=CC=C(C=C1)N(CC)CC)C1=CC=C(C=C1)N(CC)CC

IUPAC: tris[4-(diethylamino)phenyl]methylium chloride

InChI: InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1

Composition: C (75.66%), H (8.60%), Cl (7.20%), N (8.54%)

Molar Mass: 492.15

Atom Count: 77

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	491.3067261
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JVICFMRAVNKDOE-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	151.36
Topological Polar Surface Area	9.72
Polarizability	56.93
Ring Count	3
Rotatable Bond Count	12

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