potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

C34H39KO — CID 176935522

IUPACpotassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(C)c1cc(C(C)c2ccccc2)cc(C(C)c2ccccc2)c1OC=C.[CH3-].[K+]
InChIInChI=1S/C33H36O.CH3.K/c1-7-16-27(17-8-2)25(5)31-22-30(24(4)28-18-12-10-13-19-28)23-32(33(31)34-9-3)26(6)29-20-14-11-15-21-29;;/h7-26H,1,3H2,2,4-6H3;1H3;/q;-1;+1/b17-8-,27-16+;;
InChIKeyVRVHXPIWCNODPQ-VOFBAHSQSA-N
MW502.78 g/mol
LogP6.76
Rot. Bonds10

About potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene

potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (PubChem CID 176935522) has the molecular formula C34H39KO and a molecular weight of 502.78 g/mol. Its IUPAC name is potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.

Molecular Properties

Compound Namepotassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
PubChem CID176935522
Molecular FormulaC34H39KO
Molecular Weight502.78 g/mol
Exact Mass502.26
IUPAC Namepotassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
SMILESC=C/C=C(\C=C/C)C(C)c1cc(C(C)c2ccccc2)cc(C(C)c2ccccc2)c1OC=C.[CH3-].[K+]
InChIInChI=1S/C33H36O.CH3.K/c1-7-16-27(17-8-2)25(5)31-22-30(24(4)28-18-12-10-13-19-28)23-32(33(31)34-9-3)26(6)29-20-14-11-15-21-29;;/h7-26H,1,3H2,2,4-6H3;1H3;/q;-1;+1/b17-8-,27-16+;;
InChIKeyVRVHXPIWCNODPQ-VOFBAHSQSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.78
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The IUPAC name of potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene (CID 176935522) is potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene.
What is the SMILES notation for potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The canonical SMILES for potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is C=C/C=C(\C=C/C)C(C)c1cc(C(C)c2ccccc2)cc(C(C)c2ccccc2)c1OC=C.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
The InChIKey is VRVHXPIWCNODPQ-VOFBAHSQSA-N. The full InChI is InChI=1S/C33H36O.CH3.K/c1-7-16-27(17-8-2)25(5)31-22-30(24(4)28-18-12-10-13-19-28)23-32(33(31)34-9-3)26(6)29-20-14-11-15-21-29;;/h7-26H,1,3H2,2,4-6H3;1H3;/q;-1;+1/b17-8-,27-16+;;.
What are the key properties of potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene?
potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene has a molecular weight of 502.78 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;2-ethenoxy-1,5-bis(1-phenylethyl)-3-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene is sourced from PubChem (CID 176935522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).