[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane

C24H27PS — CID 139122324

IUPAC[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27PS/c1-18(2)22-16-11-17-23(19(3)4)24(22)25(26,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3
InChIKeyLZGQXPAMPPNNGA-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.69
Rot. Bonds5

About [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane

[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 139122324) has the molecular formula C24H27PS and a molecular weight of 378.52 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID139122324
Molecular FormulaC24H27PS
Molecular Weight378.52 g/mol
Exact Mass378.16
IUPAC Name[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(C)c1cccc(C(C)C)c1P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27PS/c1-18(2)22-16-11-17-23(19(3)4)24(22)25(26,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3
InChIKeyLZGQXPAMPPNNGA-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
bis[[2,6-di(propan-2-yl)anilino]-diphenyl-λ5-phosphanylidene]azanium
CID 139185972
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
CID 44633938
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane
CID 15899198
1-[[2,3-di(propan-2-yl)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]methylidene-triphenyl-λ5-phosphane
CID 175121682
CID 136741886
CID 136741886
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 139122324) is [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane is CC(C)c1cccc(C(C)C)c1P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is LZGQXPAMPPNNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27PS/c1-18(2)22-16-11-17-23(19(3)4)24(22)25(26,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane?
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 378.52 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 139122324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).