2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol

C40H46N2O2P2Si2 — CID 177425210

IUPAC2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol
SMILESC[Si](C)(C)N=P(C(=C(O)/C=C/c1ccccc1O)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H46N2O2P2Si2/c1-47(2,3)41-45(34-22-11-7-12-23-34,35-24-13-8-14-25-35)40(39(44)32-31-33-21-19-20-30-38(33)43)46(42-48(4,5)6,36-26-15-9-16-27-36)37-28-17-10-18-29-37/h7-32,43-44H,1-6H3/b32-31+
InChIKeyXQRJKXQNJLZBNS-QNEJGDQOSA-N
MW704.94 g/mol
LogP10.51
Rot. Bonds10

About 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol

2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol (PubChem CID 177425210) has the molecular formula C40H46N2O2P2Si2 and a molecular weight of 704.94 g/mol. Its IUPAC name is 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol.

Molecular Properties

Compound Name2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol
PubChem CID177425210
Molecular FormulaC40H46N2O2P2Si2
Molecular Weight704.94 g/mol
Exact Mass704.26
IUPAC Name2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol
SMILESC[Si](C)(C)N=P(C(=C(O)/C=C/c1ccccc1O)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H46N2O2P2Si2/c1-47(2,3)41-45(34-22-11-7-12-23-34,35-24-13-8-14-25-35)40(39(44)32-31-33-21-19-20-30-38(33)43)46(42-48(4,5)6,36-26-15-9-16-27-36)37-28-17-10-18-29-37/h7-32,43-44H,1-6H3/b32-31+
InChIKeyXQRJKXQNJLZBNS-QNEJGDQOSA-N
XLogP10.51
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.94
LogP ≤ 510.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[4-[bis[diphenyl(trimethylsilylimino)-lambda5-phosphanyl]methylidene]-1,3,2,4-dithiadigermetan-2-ylidene]-[diphenyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]-diphenyl-trimethylsilylimino-lambda5-phosphane
CID 16685582
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
dimethyl-phenyl-trimethylsilylimino-lambda5-phosphane
CID 12538833
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine
CID 136811096
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322
2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol
CID 142029168
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol?
The IUPAC name of 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol (CID 177425210) is 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol.
What is the SMILES notation for 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol?
The canonical SMILES for 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol is C[Si](C)(C)N=P(C(=C(O)/C=C/c1ccccc1O)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol?
The InChIKey is XQRJKXQNJLZBNS-QNEJGDQOSA-N. The full InChI is InChI=1S/C40H46N2O2P2Si2/c1-47(2,3)41-45(34-22-11-7-12-23-34,35-24-13-8-14-25-35)40(39(44)32-31-33-21-19-20-30-38(33)43)46(42-48(4,5)6,36-26-15-9-16-27-36)37-28-17-10-18-29-37/h7-32,43-44H,1-6H3/b32-31+.
What are the key properties of 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol?
2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol has a molecular weight of 704.94 g/mol, XLogP of 10.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-4,4-bis[diphenyl(trimethylsilylimino)-λ5-phosphanyl]-3-hydroxybuta-1,3-dienyl]phenol is sourced from PubChem (CID 177425210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).