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Chemical ID: 4922470
Chemical ID:
4922470
Name [?]:
9-methyl-2-(1-methylindol-3-yl)-carbazole
SMILES [?]:
Cn1cc(c2c1cccc2)c3ccc4c5ccccc5n(c4c3)C
InChi [?]:
InChI=1/C22H18N2/c1-23-14-19(17-8-3-5-9-20(17)23)15-11-12-18-16-7-4-6-10-21(16)24(2)22(18)13-15/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,9,17,8,18,16,10,7,19,12,13,23,3,11,15,5,14,4,6,20,22,2,21/rA:24nCNCCCCCCCCCCCCCCCCCCNCCC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;d12;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;d11s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7189 |
Area: | 509.905 |
Solvation: | -2.02877 |
Coulombic: | -14.7878 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 310.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.15 |
LogP (Chemaxon): | 6.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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