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Chemical ID: 6421833
Chemical ID:
6421833
Name [?]:
4,4,6-triphenyl-3H-pyrimidine
SMILES [?]:
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C22H18N2/c1-4-10-18(11-5-1)21-16-22(24-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,16,22,2,6,15,17,21,23,3,5,14,18,20,24,8,11,4,13,19,7,9,12,10/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(19,20)/rA:24nCCCCCCCCCNCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s10;s7d11;s9;s13;d14;s15;d16;d13s17;s9;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6418 |
Area: | 513.723 |
Solvation: | -2.20122 |
Coulombic: | -22.3389 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.55 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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