diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide

C25H25INPS — CID 173348317

IUPACdiphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide
SMILESCC(C)c1csc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)n1.I
InChIInChI=1S/C25H24NPS.HI/c1-19(2)24-18-28-25(26-24)17-20-13-15-23(16-14-20)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-16,18-19H,17H2,1-2H3;1H
InChIKeyOYJVPWWHNFAEKX-UHFFFAOYSA-N
MW529.43 g/mol
LogP6.23
Rot. Bonds6

About diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide

diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide (PubChem CID 173348317) has the molecular formula C25H25INPS and a molecular weight of 529.43 g/mol. Its IUPAC name is diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide.

Molecular Properties

Compound Namediphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide
PubChem CID173348317
Molecular FormulaC25H25INPS
Molecular Weight529.43 g/mol
Exact Mass529.05
IUPAC Namediphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide
SMILESCC(C)c1csc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)n1.I
InChIInChI=1S/C25H24NPS.HI/c1-19(2)24-18-28-25(26-24)17-20-13-15-23(16-14-20)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-16,18-19H,17H2,1-2H3;1H
InChIKeyOYJVPWWHNFAEKX-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide?
The IUPAC name of diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide (CID 173348317) is diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide.
What is the SMILES notation for diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide?
The canonical SMILES for diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide is CC(C)c1csc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)n1.I.
What is the InChIKey of diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide?
The InChIKey is OYJVPWWHNFAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24NPS.HI/c1-19(2)24-18-28-25(26-24)17-20-13-15-23(16-14-20)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-16,18-19H,17H2,1-2H3;1H.
What are the key properties of diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide?
diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide has a molecular weight of 529.43 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide is sourced from PubChem (CID 173348317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).