Chemical ID: 5754998

c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4n2)N)N
Chemical ID:
5754998
Name [?]:
6-phenylphenanthridine-3,8-diamine
SMILES [?]:
c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4n2)N)N
InChi [?]:
InChI=1/C19H15N3/c20-13-6-8-15-16-9-7-14(21)11-18(16)22-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,20-21H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,16,12,15,9,18,4,10,17,13,14,8,19,7,22,21,20/E:(2,3)(4,5)/rA:22nCCCCCCCCCCCCCCCCCCCNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s16;d17;d14s18;d7s19;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.91711
Area:468.849
Solvation:-1.80411
Coulombic:-40.9043
Bond Count [?]
All:25
Single:15
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:285.343
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:3.36
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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