[3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane

C60H48O2P2 — CID 11216720

IUPAC[3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane
SMILESCc1cc(C)cc(-c2cc3ccccc3c(-c3c(OP(c4ccccc4)c4ccccc4)c(-c4cc(C)cc(C)c4)cc4ccccc34)c2OP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H48O2P2/c1-41-33-42(2)36-47(35-41)55-39-45-21-17-19-31-53(45)57(59(55)61-63(49-23-9-5-10-24-49)50-25-11-6-12-26-50)58-54-32-20-18-22-46(54)40-56(48-37-43(3)34-44(4)38-48)60(58)62-64(51-27-13-7-14-28-51)52-29-15-8-16-30-52/h5-40H,1-4H3
InChIKeyQNYHVWBGQAXPBO-UHFFFAOYSA-N
MW862.99 g/mol
LogP15.08
Rot. Bonds11

About [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane

[3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane (PubChem CID 11216720) has the molecular formula C60H48O2P2 and a molecular weight of 862.99 g/mol. Its IUPAC name is [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane
PubChem CID11216720
Molecular FormulaC60H48O2P2
Molecular Weight862.99 g/mol
Exact Mass862.31
IUPAC Name[3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane
SMILESCc1cc(C)cc(-c2cc3ccccc3c(-c3c(OP(c4ccccc4)c4ccccc4)c(-c4cc(C)cc(C)c4)cc4ccccc34)c2OP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C60H48O2P2/c1-41-33-42(2)36-47(35-41)55-39-45-21-17-19-31-53(45)57(59(55)61-63(49-23-9-5-10-24-49)50-25-11-6-12-26-50)58-54-32-20-18-22-46(54)40-56(48-37-43(3)34-44(4)38-48)60(58)62-64(51-27-13-7-14-28-51)52-29-15-8-16-30-52/h5-40H,1-4H3
InChIKeyQNYHVWBGQAXPBO-UHFFFAOYSA-N
XLogP15.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.99
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane?
The IUPAC name of [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane (CID 11216720) is [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane.
What is the SMILES notation for [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane?
The canonical SMILES for [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane is Cc1cc(C)cc(-c2cc3ccccc3c(-c3c(OP(c4ccccc4)c4ccccc4)c(-c4cc(C)cc(C)c4)cc4ccccc34)c2OP(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane?
The InChIKey is QNYHVWBGQAXPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48O2P2/c1-41-33-42(2)36-47(35-41)55-39-45-21-17-19-31-53(45)57(59(55)61-63(49-23-9-5-10-24-49)50-25-11-6-12-26-50)58-54-32-20-18-22-46(54)40-56(48-37-43(3)34-44(4)38-48)60(58)62-64(51-27-13-7-14-28-51)52-29-15-8-16-30-52/h5-40H,1-4H3.
What are the key properties of [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane?
[3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane has a molecular weight of 862.99 g/mol, XLogP of 15.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-diphenylphosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane is sourced from PubChem (CID 11216720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).