[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene

C26H29O3P — CID 102258998

IUPAC[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
SMILESCC(C)OP(=O)(OC(C)C)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29O3P/c1-20(2)28-30(27,29-21(3)4)26(24-18-12-7-13-19-24)25(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-21H,1-4H3
InChIKeyLOYDFMIIXXGHCQ-UHFFFAOYSA-N
MW420.49 g/mol
LogP7.65
Rot. Bonds8

About [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene

[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene (PubChem CID 102258998) has the molecular formula C26H29O3P and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
PubChem CID102258998
Molecular FormulaC26H29O3P
Molecular Weight420.49 g/mol
Exact Mass420.19
IUPAC Name[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
SMILESCC(C)OP(=O)(OC(C)C)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29O3P/c1-20(2)28-30(27,29-21(3)4)26(24-18-12-7-13-19-24)25(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-21H,1-4H3
InChIKeyLOYDFMIIXXGHCQ-UHFFFAOYSA-N
XLogP7.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene?
The IUPAC name of [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene (CID 102258998) is [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene.
What is the SMILES notation for [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene?
The canonical SMILES for [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene is CC(C)OP(=O)(OC(C)C)C(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene?
The InChIKey is LOYDFMIIXXGHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29O3P/c1-20(2)28-30(27,29-21(3)4)26(24-18-12-7-13-19-24)25(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-21H,1-4H3.
What are the key properties of [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene?
[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene has a molecular weight of 420.49 g/mol, XLogP of 7.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene is sourced from PubChem (CID 102258998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).