1,2-diphenylethenylbenzene;phenol;phosphoric acid

C26H25O5P — CID 174310786

IUPAC1,2-diphenylethenylbenzene;phenol;phosphoric acid
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1.O=P(O)(O)O.Oc1ccccc1
InChIInChI=1S/C20H16.C6H6O.H3O4P/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;7-6-4-2-1-3-5-6;1-5(2,3)4/h1-16H;1-5,7H;(H3,1,2,3,4)
InChIKeyGXOMKNHAYQTUFH-UHFFFAOYSA-N
MW448.46 g/mol
LogP5.74
Rot. Bonds3

About 1,2-diphenylethenylbenzene;phenol;phosphoric acid

1,2-diphenylethenylbenzene;phenol;phosphoric acid (PubChem CID 174310786) has the molecular formula C26H25O5P and a molecular weight of 448.46 g/mol. Its IUPAC name is 1,2-diphenylethenylbenzene;phenol;phosphoric acid.

Molecular Properties

Compound Name1,2-diphenylethenylbenzene;phenol;phosphoric acid
PubChem CID174310786
Molecular FormulaC26H25O5P
Molecular Weight448.46 g/mol
Exact Mass448.14
IUPAC Name1,2-diphenylethenylbenzene;phenol;phosphoric acid
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1.O=P(O)(O)O.Oc1ccccc1
InChIInChI=1S/C20H16.C6H6O.H3O4P/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;7-6-4-2-1-3-5-6;1-5(2,3)4/h1-16H;1-5,7H;(H3,1,2,3,4)
InChIKeyGXOMKNHAYQTUFH-UHFFFAOYSA-N
XLogP5.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.46
LogP ≤ 55.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 173126547
CID 173126547
phenol;phosphoric acid
CID 157339539
CID 172843956
CID 172843956
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
carbonic acid;phenol;phosphoric acid
CID 70560640
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1,2-diphenylethenylbenzene;furan
CID 175372951
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
methylphosphonic acid;phenol
CID 175231709
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethenylbenzene;phenol;phosphoric acid?
The IUPAC name of 1,2-diphenylethenylbenzene;phenol;phosphoric acid (CID 174310786) is 1,2-diphenylethenylbenzene;phenol;phosphoric acid.
What is the SMILES notation for 1,2-diphenylethenylbenzene;phenol;phosphoric acid?
The canonical SMILES for 1,2-diphenylethenylbenzene;phenol;phosphoric acid is C(=C(c1ccccc1)c1ccccc1)c1ccccc1.O=P(O)(O)O.Oc1ccccc1.
What is the InChIKey of 1,2-diphenylethenylbenzene;phenol;phosphoric acid?
The InChIKey is GXOMKNHAYQTUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C6H6O.H3O4P/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;7-6-4-2-1-3-5-6;1-5(2,3)4/h1-16H;1-5,7H;(H3,1,2,3,4).
What are the key properties of 1,2-diphenylethenylbenzene;phenol;phosphoric acid?
1,2-diphenylethenylbenzene;phenol;phosphoric acid has a molecular weight of 448.46 g/mol, XLogP of 5.74, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethenylbenzene;phenol;phosphoric acid is sourced from PubChem (CID 174310786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).