Chemical ID: 5187146

Cc1ccc(n1c2c(c(c(c(c2C)C)n3cc(c(c3)C)C)C)C)C
Chemical ID:
5187146
Name [?]:
1-[4-(3,4-dimethylpyrrol-1-yl)-2,3,5,6-tetramethyl-phenyl]-2,5-dimethyl-pyrrole
SMILES [?]:
Cc1ccc(n1c2c(c(c(c(c2C)C)n3cc(c(c3)C)C)C)C)C
InChi [?]:
InChI=1/C22H28N2/c1-13-11-23(12-14(13)2)21-17(5)19(7)22(20(8)18(21)6)24-15(3)9-10-16(24)4/h9-12H,1-8H3
InChi Info:
AuxInfo=1/0/N:20,21,1,24,14,22,13,23,3,4,19,16,18,17,2,5,11,9,12,8,10,7,15,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:24nCCCCCNCCCCCCCCNCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;s11;s10;s15;d16;s17;s15d18;s18;s17;s9;s8;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8812
Area:529.012
Solvation:-1.34408
Coulombic:-10.0593
Bond Count [?]
All:26
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.471
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.02
LogP (Chemaxon):6.2

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Descriptor Annotations

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