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Chemical ID: 5187146
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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