[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene

C27H22O — CID 134952487

IUPAC[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene
SMILESC(=C(\OC(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C27H22O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23)28-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,27H/b26-21-
InChIKeyBGAORGOKWRDXKZ-QLYXXIJNSA-N
MW362.47 g/mol
LogP6.99
Rot. Bonds6

About [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene

[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene (PubChem CID 134952487) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene
PubChem CID134952487
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene
SMILESC(=C(\OC(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C27H22O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23)28-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,27H/b26-21-
InChIKeyBGAORGOKWRDXKZ-QLYXXIJNSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

tribromo-[(Z)-1,2-diphenylethenoxy]germane
CID 132573464
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
1,2-diphenylethenyl dihydrogen phosphate
CID 57178972
1,2-diphenylethenyl hydrogen sulfite
CID 57013364
dibenzhydryl (E)-but-2-enedioate
CID 19073748
1,2,3-triphenylprop-2-en-1-amine
CID 173348999
benzhydryl (E,2S)-2-hydroxy-2-phenacyl-4-phenylbut-3-enoate
CID 122395667
tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
4-(1,2-diphenylethenoxy)butan-1-amine
CID 57175242
1,2-diphenylethenyl 3-phenylprop-2-enoate
CID 90922275
CID 173126547
CID 173126547

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene?
The IUPAC name of [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene (CID 134952487) is [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene.
What is the SMILES notation for [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene?
The canonical SMILES for [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene is C(=C(\OC(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene?
The InChIKey is BGAORGOKWRDXKZ-QLYXXIJNSA-N. The full InChI is InChI=1S/C27H22O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23)28-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,27H/b26-21-.
What are the key properties of [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene?
[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene has a molecular weight of 362.47 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-benzhydryloxy-2-phenylethenyl]benzene is sourced from PubChem (CID 134952487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).