[4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane

C32H26NPS — CID 118673957

IUPAC[4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC/C=c1/cccc/c1=C(\c1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C32H26NPS/c1-2-25-13-9-10-18-30(25)32(31-19-11-12-24-33-31)26-20-22-29(23-21-26)34(35,27-14-5-3-6-15-27)28-16-7-4-8-17-28/h2-24H,1H3/b25-2-,32-30-
InChIKeyDXEDAIHERKEFIS-VRIQCBGBSA-N
MW487.61 g/mol
LogP4.89
Rot. Bonds5

About [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane

[4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 118673957) has the molecular formula C32H26NPS and a molecular weight of 487.61 g/mol. Its IUPAC name is [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID118673957
Molecular FormulaC32H26NPS
Molecular Weight487.61 g/mol
Exact Mass487.15
IUPAC Name[4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESC/C=c1/cccc/c1=C(\c1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C32H26NPS/c1-2-25-13-9-10-18-30(25)32(31-19-11-12-24-33-31)26-20-22-29(23-21-26)34(35,27-14-5-3-6-15-27)28-16-7-4-8-17-28/h2-24H,1H3/b25-2-,32-30-
InChIKeyDXEDAIHERKEFIS-VRIQCBGBSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
gadolinium;pyridine-2-carboxylic acid
CID 175231422
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
1-pyridin-2-ylethanethione
CID 89010255
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane
CID 123449612
2-[2-[2,5-dimethyl-4-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine
CID 54097207
pyridine-2-carbothioamide;hydrochloride
CID 57440257

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 118673957) is [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane is C/C=c1/cccc/c1=C(\c1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1)c1ccccn1.
What is the InChIKey of [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is DXEDAIHERKEFIS-VRIQCBGBSA-N. The full InChI is InChI=1S/C32H26NPS/c1-2-25-13-9-10-18-30(25)32(31-19-11-12-24-33-31)26-20-22-29(23-21-26)34(35,27-14-5-3-6-15-27)28-16-7-4-8-17-28/h2-24H,1H3/b25-2-,32-30-.
What are the key properties of [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
[4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 487.61 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-pyridin-2-ylmethyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 118673957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).