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Chemical ID: 7512925
Chemical ID:
7512925
Name [?]:
3-(2,6-diphenyl-4-pyridyl)-2-methyl-1H-indole
SMILES [?]:
Cc1c(c2ccccc2[nH]1)c3cc(nc(c3)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C26H20N2/c1-18-26(22-14-8-9-15-23(22)27-18)21-16-24(19-10-4-2-5-11-19)28-25(17-21)20-12-6-3-7-13-20/h2-17,27H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,26,19,21,25,27,6,7,18,22,24,28,5,8,16,12,2,17,23,11,4,9,15,13,3,10,14/E:(2,3)(4,5,6,7)(10,11,12,13)(16,17)(19,20)(24,25)/rA:28nCCCCCCCCCNCCCNCCCCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;d12;s13;d14;d11s15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20N2 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.7396 |
Area: | 591.191 |
Solvation: | -2.04016 |
Coulombic: | -21.0325 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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