diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane

C42H33PSn — CID 177452354

IUPACdiphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c4c(ccc([Sn](c5ccccc5)(c5ccccc5)c5ccccc5)c24)CC3)cc1
InChIInChI=1S/C24H18P.3C6H5.Sn/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)23-17-16-19-15-14-18-8-7-13-22(23)24(18)19;3*1-2-4-6-5-3-1;/h1-12,16-17H,14-15H2;3*1-5H;
InChIKeyIKCKGOWXTBPXTD-UHFFFAOYSA-N
MW687.41 g/mol
LogP6.07
Rot. Bonds7

About diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane

diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane (PubChem CID 177452354) has the molecular formula C42H33PSn and a molecular weight of 687.41 g/mol. Its IUPAC name is diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane.

Molecular Properties

Compound Namediphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane
PubChem CID177452354
Molecular FormulaC42H33PSn
Molecular Weight687.41 g/mol
Exact Mass688.13
IUPAC Namediphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c4c(ccc([Sn](c5ccccc5)(c5ccccc5)c5ccccc5)c24)CC3)cc1
InChIInChI=1S/C24H18P.3C6H5.Sn/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)23-17-16-19-15-14-18-8-7-13-22(23)24(18)19;3*1-2-4-6-5-3-1;/h1-12,16-17H,14-15H2;3*1-5H;
InChIKeyIKCKGOWXTBPXTD-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.41
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane?
The IUPAC name of diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane (CID 177452354) is diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane.
What is the SMILES notation for diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane?
The canonical SMILES for diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane is c1ccc(P(c2ccccc2)c2ccc3c4c(ccc([Sn](c5ccccc5)(c5ccccc5)c5ccccc5)c24)CC3)cc1.
What is the InChIKey of diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane?
The InChIKey is IKCKGOWXTBPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18P.3C6H5.Sn/c1-3-9-20(10-4-1)25(21-11-5-2-6-12-21)23-17-16-19-15-14-18-8-7-13-22(23)24(18)19;3*1-2-4-6-5-3-1;/h1-12,16-17H,14-15H2;3*1-5H;.
What are the key properties of diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane?
diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane has a molecular weight of 687.41 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(6-triphenylstannyl-1,2-dihydroacenaphthylen-5-yl)phosphane is sourced from PubChem (CID 177452354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).