Chemical ID: 4915471

CC1(CC(=CC2=Nc3ccccc3C21O)c4c[nH]c5c4cccc5)C
Chemical ID:
4915471
Name [?]:
2-(1H-indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol
SMILES [?]:
CC1(CC(=CC2=Nc3ccccc3C21O)c4c[nH]c5c4cccc5)C
InChi [?]:
InChI=1/C22H20N2O/c1-21(2)12-14(16-13-23-18-9-5-3-7-15(16)18)11-20-22(21,25)17-8-4-6-10-19(17)24-20/h3-11,13,23,25H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,22,11,23,10,21,12,24,9,5,3,17,4,20,16,13,19,8,6,2,14,18,7,15/E:(1,2)/rA:25cCCCCCCNCCCCCCCOCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;s8;d9;s10;d11;d8s12;s2s6s13;s14;s4;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.4281
Area:507.237
Solvation:-2.2528
Coulombic:-37.4743
Bond Count [?]
All:29
Single:20
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:328.407
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):5.83

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Descriptor Annotations

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