dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane

C31H29Cl2O2P — CID 144537343

IUPACdichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane
SMILESClP(Cl)Oc1ccc2c(c1-c1c(OCc3ccc4ccccc4c3)ccc3c1CCCC3)CCCC2
InChIInChI=1S/C31H29Cl2O2P/c32-36(33)35-29-18-16-24-9-4-6-12-27(24)31(29)30-26-11-5-3-8-23(26)15-17-28(30)34-20-21-13-14-22-7-1-2-10-25(22)19-21/h1-2,7,10,13-19H,3-6,8-9,11-12,20H2
InChIKeyLNTGSFVUROJMRS-UHFFFAOYSA-N
MW535.45 g/mol
LogP9.93
Rot. Bonds6

About dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane

dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane (PubChem CID 144537343) has the molecular formula C31H29Cl2O2P and a molecular weight of 535.45 g/mol. Its IUPAC name is dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane.

Molecular Properties

Compound Namedichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane
PubChem CID144537343
Molecular FormulaC31H29Cl2O2P
Molecular Weight535.45 g/mol
Exact Mass534.13
IUPAC Namedichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane
SMILESClP(Cl)Oc1ccc2c(c1-c1c(OCc3ccc4ccccc4c3)ccc3c1CCCC3)CCCC2
InChIInChI=1S/C31H29Cl2O2P/c32-36(33)35-29-18-16-24-9-4-6-12-27(24)31(29)30-26-11-5-3-8-23(26)15-17-28(30)34-20-21-13-14-22-7-1-2-10-25(22)19-21/h1-2,7,10,13-19H,3-6,8-9,11-12,20H2
InChIKeyLNTGSFVUROJMRS-UHFFFAOYSA-N
XLogP9.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.45
LogP ≤ 59.93
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 dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane?
The IUPAC name of dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane (CID 144537343) is dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane.
What is the SMILES notation for dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane?
The canonical SMILES for dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane is ClP(Cl)Oc1ccc2c(c1-c1c(OCc3ccc4ccccc4c3)ccc3c1CCCC3)CCCC2.
What is the InChIKey of dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane?
The InChIKey is LNTGSFVUROJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29Cl2O2P/c32-36(33)35-29-18-16-24-9-4-6-12-27(24)31(29)30-26-11-5-3-8-23(26)15-17-28(30)34-20-21-13-14-22-7-1-2-10-25(22)19-21/h1-2,7,10,13-19H,3-6,8-9,11-12,20H2.
What are the key properties of dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane?
dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane has a molecular weight of 535.45 g/mol, XLogP of 9.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[1-[2-(naphthalen-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phosphane is sourced from PubChem (CID 144537343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).