ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane

C28H33PS — CID 22623381

IUPACditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane
SMILESCC(C)(C)P(=S)(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H33PS/c1-27(2,3)29(30,28(4,5)6)26(24-20-14-9-15-21-24)25(22-16-10-7-11-17-22)23-18-12-8-13-19-23/h7-21H,1-6H3
InChIKeyNXZIWZDLMGGUTN-UHFFFAOYSA-N
MW432.61 g/mol
LogP8.68
Rot. Bonds4

About ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane

ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane (PubChem CID 22623381) has the molecular formula C28H33PS and a molecular weight of 432.61 g/mol. Its IUPAC name is ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane.

Molecular Properties

Compound Nameditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane
PubChem CID22623381
Molecular FormulaC28H33PS
Molecular Weight432.61 g/mol
Exact Mass432.20
IUPAC Nameditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane
SMILESCC(C)(C)P(=S)(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H33PS/c1-27(2,3)29(30,28(4,5)6)26(24-20-14-9-15-21-24)25(22-16-10-7-11-17-22)23-18-12-8-13-19-23/h7-21H,1-6H3
InChIKeyNXZIWZDLMGGUTN-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
CID 102258998
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
CID 12010825
1,2,2-triphenylethenesulfonic acid
CID 141358047
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
O-tert-butyl benzenecarbothioate
CID 56986939
2,2-dimethylpropane;diphenylmethanone
CID 159191976
[(2-ditert-butylphosphorylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene
CID 15423949
5-benzhydrylidene-3,7-ditert-butyl-2,2,8,8-tetramethylnonane-3,7-diol
CID 102409217
2-[tert-butyl(phenyl)phosphoryl]phenol
CID 127258156

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane?
The IUPAC name of ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane (CID 22623381) is ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane.
What is the SMILES notation for ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane?
The canonical SMILES for ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane is CC(C)(C)P(=S)(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane?
The InChIKey is NXZIWZDLMGGUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33PS/c1-27(2,3)29(30,28(4,5)6)26(24-20-14-9-15-21-24)25(22-16-10-7-11-17-22)23-18-12-8-13-19-23/h7-21H,1-6H3.
What are the key properties of ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane?
ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane has a molecular weight of 432.61 g/mol, XLogP of 8.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-sulfanylidene-(1,2,2-triphenylethenyl)-λ5-phosphane is sourced from PubChem (CID 22623381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).