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Chemical ID: 5633409

Chemical ID:

5633409

Name [?]:

4-[4-(4-aminophenyl)phenyl]aniline

SMILES [?]:

c1cc(ccc1c2ccc(cc2)N)c3ccc(cc3)N

InChi [?]:

InChI=1/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2

InChi Info:

AuxInfo=1/0/N:1,2,5,4,8,12,15,19,9,11,16,18,6,3,7,14,10,17,13,20/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s10;s3;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.94888
Area:	469.114
Solvation:	-1.77898
Coulombic:	-36.0958

Bond Count [?]

All:	22
Single:	13
Double:	9
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	260.333
H-Bond Donors:	4
H-Bond Acceptors:	2
XLogP:	4.27
LogP (Chemaxon):	3.85

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value