[6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane

C26H24ClPSi — CID 132544670

IUPAC[6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane
SMILESC[Si](C)(Cl)c1ccc2c3c(ccc(P(c4ccccc4)c4ccccc4)c13)CC2
InChIInChI=1S/C26H24ClPSi/c1-29(2,27)24-18-16-20-14-13-19-15-17-23(26(24)25(19)20)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-18H,13-14H2,1-2H3
InChIKeyRSAPHFMQSYNBIY-UHFFFAOYSA-N
MW430.99 g/mol
LogP5.35
Rot. Bonds4

About [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane

[6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane (PubChem CID 132544670) has the molecular formula C26H24ClPSi and a molecular weight of 430.99 g/mol. Its IUPAC name is [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane.

Molecular Properties

Compound Name[6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane
PubChem CID132544670
Molecular FormulaC26H24ClPSi
Molecular Weight430.99 g/mol
Exact Mass430.11
IUPAC Name[6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane
SMILESC[Si](C)(Cl)c1ccc2c3c(ccc(P(c4ccccc4)c4ccccc4)c13)CC2
InChIInChI=1S/C26H24ClPSi/c1-29(2,27)24-18-16-20-14-13-19-15-17-23(26(24)25(19)20)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-18H,13-14H2,1-2H3
InChIKeyRSAPHFMQSYNBIY-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.99
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane
CID 177452354
CID 122378587
CID 122378587
diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
CID 11605813
(12-diphenylphosphanyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl)-diphenylphosphane
CID 635885
[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 157063230
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
(10-diphenylphosphanyl-5,6-dihydrobenzo[b][1]benzoxepin-1-yl)-methyl-diphenylphosphanium
CID 89282822
ethane;triphenylphosphane
CID 90942156
2-diphenylphosphanylaniline;ethane
CID 177151312
triphenylphosphane
CID 139056248
bis([1-[2-bis(3-methylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3-methylphenyl)phosphane);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 158761119
[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
CID 58729439

Frequently Asked Questions

What is the IUPAC name of [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane?
The IUPAC name of [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane (CID 132544670) is [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane.
What is the SMILES notation for [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane?
The canonical SMILES for [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane is C[Si](C)(Cl)c1ccc2c3c(ccc(P(c4ccccc4)c4ccccc4)c13)CC2.
What is the InChIKey of [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane?
The InChIKey is RSAPHFMQSYNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClPSi/c1-29(2,27)24-18-16-20-14-13-19-15-17-23(26(24)25(19)20)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-18H,13-14H2,1-2H3.
What are the key properties of [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane?
[6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane has a molecular weight of 430.99 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[chloro(dimethyl)silyl]-1,2-dihydroacenaphthylen-5-yl]-diphenylphosphane is sourced from PubChem (CID 132544670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).