triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane

C48H38P2 — CID 134876505

IUPACtriphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane
SMILESC(c1cccc2cccc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H38P2/c1-7-25-42(26-8-1)49(43-27-9-2-10-28-43,44-29-11-3-12-30-44)37-40-23-19-21-39-22-20-24-41(48(39)40)38-50(45-31-13-4-14-32-45,46-33-15-5-16-34-46)47-35-17-6-18-36-47/h1-38H
InChIKeyLSFISLBXUFJPED-UHFFFAOYSA-N
MW676.78 g/mol
LogP9.13
Rot. Bonds8

About triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane

triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane (PubChem CID 134876505) has the molecular formula C48H38P2 and a molecular weight of 676.78 g/mol. Its IUPAC name is triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane.

Molecular Properties

Compound Nametriphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane
PubChem CID134876505
Molecular FormulaC48H38P2
Molecular Weight676.78 g/mol
Exact Mass676.24
IUPAC Nametriphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane
SMILESC(c1cccc2cccc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H38P2/c1-7-25-42(26-8-1)49(43-27-9-2-10-28-43,44-29-11-3-12-30-44)37-40-23-19-21-39-22-20-24-41(48(39)40)38-50(45-31-13-4-14-32-45,46-33-15-5-16-34-46)47-35-17-6-18-36-47/h1-38H
InChIKeyLSFISLBXUFJPED-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 59.13
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 triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane?
The IUPAC name of triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane (CID 134876505) is triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane.
What is the SMILES notation for triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane?
The canonical SMILES for triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane is C(c1cccc2cccc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane?
The InChIKey is LSFISLBXUFJPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38P2/c1-7-25-42(26-8-1)49(43-27-9-2-10-28-43,44-29-11-3-12-30-44)37-40-23-19-21-39-22-20-24-41(48(39)40)38-50(45-31-13-4-14-32-45,46-33-15-5-16-34-46)47-35-17-6-18-36-47/h1-38H.
What are the key properties of triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane?
triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane has a molecular weight of 676.78 g/mol, XLogP of 9.13, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[8-[(triphenyl-λ5-phosphanylidene)methyl]naphthalen-1-yl]methylidene]-λ5-phosphane is sourced from PubChem (CID 134876505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).