(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol

C26H29NO4 — CID 20656192

IUPAC(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
SMILESOCC(O)C(O)C(O)C(/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO4/c28-18-23(29)26(31)25(30)22(17-16-19-10-4-1-5-11-19)27-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22-31H,18H2/b17-16+
InChIKeyOHNJRCGBVCQXGW-WUKNDPDISA-N
MW419.52 g/mol
LogP2.52
Rot. Bonds10

About (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol

(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol (PubChem CID 20656192) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
PubChem CID20656192
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
SMILESOCC(O)C(O)C(O)C(/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO4/c28-18-23(29)26(31)25(30)22(17-16-19-10-4-1-5-11-19)27-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22-31H,18H2/b17-16+
InChIKeyOHNJRCGBVCQXGW-WUKNDPDISA-N
XLogP2.52
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(E,2R,3R,4S,5S)-5-(benzylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
CID 135004799
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid
CID 21325895
pentane-1,2,3,4,5-pentol;3-phenylprop-2-enoic acid
CID 175238527
4,5,6,7,8-pentahydroxy-1-phenyloct-1-en-3-one
CID 174420832
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
CID 138982001
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
(2S,3S)-3-(benzhydrylamino)-5-phenylpentane-1,2-diol
CID 10981294
2-(benzhydrylamino)propan-1-ol
CID 43499566
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408
3-phenylprop-2-ene-1,1-diol
CID 54432533

Frequently Asked Questions

What is the IUPAC name of (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol?
The IUPAC name of (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol (CID 20656192) is (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol.
What is the SMILES notation for (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol?
The canonical SMILES for (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol is OCC(O)C(O)C(O)C(/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol?
The InChIKey is OHNJRCGBVCQXGW-WUKNDPDISA-N. The full InChI is InChI=1S/C26H29NO4/c28-18-23(29)26(31)25(30)22(17-16-19-10-4-1-5-11-19)27-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22-31H,18H2/b17-16+.
What are the key properties of (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol?
(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol has a molecular weight of 419.52 g/mol, XLogP of 2.52, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol is sourced from PubChem (CID 20656192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).