N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine

C23H26NOPSSi — CID 102367102

IUPACN-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine
SMILESC=C=C(C(NP(=O)(c1ccccc1)c1ccccc1)c1ccsc1)[Si](C)(C)C
InChIInChI=1S/C23H26NOPSSi/c1-5-22(28(2,3)4)23(19-16-17-27-18-19)24-26(25,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,23H,1H2,2-4H3,(H,24,25)
InChIKeySMGWAAXJPWDSLY-UHFFFAOYSA-N
MW423.59 g/mol
LogP5.90
Rot. Bonds7

About N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine

N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine (PubChem CID 102367102) has the molecular formula C23H26NOPSSi and a molecular weight of 423.59 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine
PubChem CID102367102
Molecular FormulaC23H26NOPSSi
Molecular Weight423.59 g/mol
Exact Mass423.12
IUPAC NameN-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine
SMILESC=C=C(C(NP(=O)(c1ccccc1)c1ccccc1)c1ccsc1)[Si](C)(C)C
InChIInChI=1S/C23H26NOPSSi/c1-5-22(28(2,3)4)23(19-16-17-27-18-19)24-26(25,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,23H,1H2,2-4H3,(H,24,25)
InChIKeySMGWAAXJPWDSLY-UHFFFAOYSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.59
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene
CID 168865599
(2S)-2-phenyl-2-[[(1R)-1-phenyl-2-trimethylsilylbuta-2,3-dienyl]amino]ethanol
CID 11739228
2-(3-diphenylphosphoryl-3-thiophen-3-ylprop-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168865589
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
2-[furan-2-ylmethyl(methyl)amino]-2-thiophen-3-ylacetic acid
CID 138003631
2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-thiophen-3-ylacetic acid
CID 18793946
N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
CID 132838677
2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 62843528
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine?
The IUPAC name of N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine (CID 102367102) is N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine.
What is the SMILES notation for N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine?
The canonical SMILES for N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine is C=C=C(C(NP(=O)(c1ccccc1)c1ccccc1)c1ccsc1)[Si](C)(C)C.
What is the InChIKey of N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine?
The InChIKey is SMGWAAXJPWDSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NOPSSi/c1-5-22(28(2,3)4)23(19-16-17-27-18-19)24-26(25,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,23H,1H2,2-4H3,(H,24,25).
What are the key properties of N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine?
N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine has a molecular weight of 423.59 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-thiophen-3-yl-2-trimethylsilylbuta-2,3-dien-1-amine is sourced from PubChem (CID 102367102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).