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Chemical ID: 6571501

c1ccc(cc1)c2ccc(cc2)c3cc(c4ccccc4n3)C(=O)N5CCCC5

Chemical ID:

6571501

Name [?]:

[2-(4-phenylphenyl)-4-quinolyl]-pyrrolidin-1-yl-methanone

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)c3cc(c4ccccc4n3)C(=O)N5CCCC5

InChi [?]:

InChI=1/C26H22N2O/c29-26(28-16-6-7-17-28)23-18-25(27-24-11-5-4-10-22(23)24)21-14-12-20(13-15-21)19-8-2-1-3-9-19/h1-5,8-15,18H,6-7,16-17H2

InChi Info:

AuxInfo=1/0/N:1,2,6,18,19,27,28,3,5,17,20,8,12,9,11,26,29,14,4,7,10,16,15,21,13,23,22,25,24/E:(2,3)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:29nCCCCCCCCCCCCCCCCCCCCCNCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s15;d23;s23;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4326
Area:	601.043
Solvation:	-2.59349
Coulombic:	-26.5447

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	378.466
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.15
LogP (Chemaxon):	5.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value