naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane

C44H48O4P2 — CID 21130809

IUPACnaphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
SMILESCC(C)c1cc(-c2cc(C(C)C)cc(C(C)C)c2OPOc2ccc3ccccc3c2)c(OPOc2ccc3ccccc3c2)c(C(C)C)c1
InChIInChI=1S/C44H48O4P2/c1-27(2)35-23-39(29(5)6)43(47-49-45-37-19-17-31-13-9-11-15-33(31)21-37)41(25-35)42-26-36(28(3)4)24-40(30(7)8)44(42)48-50-46-38-20-18-32-14-10-12-16-34(32)22-38/h9-30,49-50H,1-8H3
InChIKeyVHQMBTOPDGWKOG-UHFFFAOYSA-N
MW702.81 g/mol
LogP14.09
Rot. Bonds13

About naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane

naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane (PubChem CID 21130809) has the molecular formula C44H48O4P2 and a molecular weight of 702.81 g/mol. Its IUPAC name is naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane.

Molecular Properties

Compound Namenaphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
PubChem CID21130809
Molecular FormulaC44H48O4P2
Molecular Weight702.81 g/mol
Exact Mass702.30
IUPAC Namenaphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
SMILESCC(C)c1cc(-c2cc(C(C)C)cc(C(C)C)c2OPOc2ccc3ccccc3c2)c(OPOc2ccc3ccccc3c2)c(C(C)C)c1
InChIInChI=1S/C44H48O4P2/c1-27(2)35-23-39(29(5)6)43(47-49-45-37-19-17-31-13-9-11-15-33(31)21-37)41(25-35)42-26-36(28(3)4)24-40(30(7)8)44(42)48-50-46-38-20-18-32-14-10-12-16-34(32)22-38/h9-30,49-50H,1-8H3
InChIKeyVHQMBTOPDGWKOG-UHFFFAOYSA-N
XLogP14.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.81
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
The IUPAC name of naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane (CID 21130809) is naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane.
What is the SMILES notation for naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
The canonical SMILES for naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane is CC(C)c1cc(-c2cc(C(C)C)cc(C(C)C)c2OPOc2ccc3ccccc3c2)c(OPOc2ccc3ccccc3c2)c(C(C)C)c1.
What is the InChIKey of naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
The InChIKey is VHQMBTOPDGWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48O4P2/c1-27(2)35-23-39(29(5)6)43(47-49-45-37-19-17-31-13-9-11-15-33(31)21-37)41(25-35)42-26-36(28(3)4)24-40(30(7)8)44(42)48-50-46-38-20-18-32-14-10-12-16-34(32)22-38/h9-30,49-50H,1-8H3.
What are the key properties of naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane?
naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane has a molecular weight of 702.81 g/mol, XLogP of 14.09, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane is sourced from PubChem (CID 21130809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).