629354
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5.4641
5.4641
4.5981
4.5981
6.3301
6.3301
5.4641
3.732
3.732
7.1962
6.3301
4.5981
2.866
3.732
7.1962
8.0622
6.3301
4.5981
2
2.866
5.4641
8.0622
8.9282
2
8.9282
6.8671
4.042
3.1951
3.422
6.8671
4.0611
2.866
4.269
6.6592
8.0622
6.8671
4.0611
1.4631
2.866
5.4641
8.0622
9.4651
1.4631
9.4651
-1.75
0.25
-0.25
-1.25
-1.25
-0.25
1.25
-1.75
0.25
-1.75
1.75
1.75
-1.25
-2.75
-2.75
-1.25
2.75
2.75
-1.75
-3.25
3.25
-3.25
-1.75
-2.75
-2.75
0.06
0.7869
0.56
-0.2869
1.44
1.44
-0.63
-3.06
-3.06
-0.63
3.06
3.06
-1.44
-3.87
3.87
-3.87
-1.44
-3.06
-3.06
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
387
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A00000000000000000000000000000000000000003C60C100000000000001D400001C00000000000C08811E00328092081000A003246244008280202102200898203064980820E2C09191842008608000C8C8071080C00E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-methyl-2,4,6-triphenyl-pyridine
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-methyl-2,4,6-triphenylpyridine
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-methyl-2,4,6-triphenylpyridine
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-methyl-2,4,6-triphenyl-pyridine
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-methyl-2,4,6-triphenyl-pyridine
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H19N/c1-18-22(19-11-5-2-6-12-19)17-23(20-13-7-3-8-14-20)25-24(18)21-15-9-4-10-16-21/h2-17H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
FNTPGHRMJWSMDF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
6.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
321.15175
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H19N
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
321.41436
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(N=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(N=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
12.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
321.15175
25
0
0
0
0
0
0
0
1
1