1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea

1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea

CAS: 138046-43-2

Formula: C31H36N2O

SMILES: CC1=CC(C)=C(NC(=O)N(CC2=CC=C3C(CC4=C3C=CC=C4)=C2)C2CCCCCC2)C(C)=C1

IUPAC: 1-cycloheptyl-1-[(9H-fluoren-2-yl)methyl]-3-(2,4,6-trimethylphenyl)urea

InChI: InChI=1S/C31H36N2O/c1-21-16-22(2)30(23(3)17-21)32-31(34)33(27-11-6-4-5-7-12-27)20-24-14-15-29-26(18-24)19-25-10-8-9-13-28(25)29/h8-10,13-18,27H,4-7,11-12,19-20H2,1-3H3,(H,32,34)

Composition: C (82.26%), H (8.02%), N (6.19%), O (3.53%)

Molar Mass: 452.642

Atom Count: 70

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	452.282763787
Formal Charge	0
FSP3	0.39
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	FMLJREWZCZHGGW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.56
Topological Polar Surface Area	32.34
Polarizability	55.48
Ring Count	5
Rotatable Bond Count	4

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