Chemical ID: 7191463

Cc1ccc(c(c1)Cn2c(c(c(n2)c3ccc(c(c3)C)C)C)c4ccc(c(c4)C)C)C
Chemical ID:
7191463
Name [?]:
3,5-bis(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-4-methyl-pyrazole
SMILES [?]:
Cc1ccc(c(c1)Cn2c(c(c(n2)c3ccc(c(c3)C)C)C)c4ccc(c(c4)C)C)C
InChi [?]:
InChI=1/C29H32N2/c1-18-8-9-21(4)27(14-18)17-31-29(26-13-11-20(3)23(6)16-26)24(7)28(30-31)25-12-10-19(2)22(5)15-25/h8-16H,17H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,21,30,31,20,29,22,3,4,16,25,15,24,7,19,28,8,2,17,26,5,18,27,11,14,23,6,12,10,13,9/rA:31nCCCCCCCCNCCCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s18;s17;s11;s10;s23;d24;s25;d26;d23s27;s27;s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H32N2
All Atoms:63
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.9562
Area:643.43
Solvation:-2.12956
Coulombic:-8.98846
Bond Count [?]
All:34
Single:23
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:408.578
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:8.88
LogP (Chemaxon):8.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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