bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

C36H31O4P — CID 159583139

IUPACbis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESCOc1cc(OC)cc(P(c2cc(OC)cc(OC)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)c1
InChIInChI=1S/C36H31O4P/c1-37-26-18-27(38-2)21-30(20-26)41(31-22-28(39-3)19-29(23-31)40-4)35-17-16-25-11-6-8-14-33(25)36(35)34-15-9-12-24-10-5-7-13-32(24)34/h5-23H,1-4H3
InChIKeyMJGSCWVSMBJDKL-UHFFFAOYSA-N
MW558.61 g/mol
LogP7.45
Rot. Bonds8

About bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (PubChem CID 159583139) has the molecular formula C36H31O4P and a molecular weight of 558.61 g/mol. Its IUPAC name is bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namebis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
PubChem CID159583139
Molecular FormulaC36H31O4P
Molecular Weight558.61 g/mol
Exact Mass558.20
IUPAC Namebis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESCOc1cc(OC)cc(P(c2cc(OC)cc(OC)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)c1
InChIInChI=1S/C36H31O4P/c1-37-26-18-27(38-2)21-30(20-26)41(31-22-28(39-3)19-29(23-31)40-4)35-17-16-25-11-6-8-14-33(25)36(35)34-15-9-12-24-10-5-7-13-32(24)34/h5-23H,1-4H3
InChIKeyMJGSCWVSMBJDKL-UHFFFAOYSA-N
XLogP7.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.61
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
1-benzyl-3-[1-[2-bis(3,5-dimethoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]thiourea
CID 53381412
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
CID 135084915
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
CID 121233606
bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 67216775
[2-(2-but-2-en-2-ylnaphthalen-1-yl)-4-methoxyphenyl]-diphenylphosphane
CID 175500377
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The IUPAC name of bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (CID 159583139) is bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.
What is the SMILES notation for bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The canonical SMILES for bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is COc1cc(OC)cc(P(c2cc(OC)cc(OC)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)c1.
What is the InChIKey of bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The InChIKey is MJGSCWVSMBJDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31O4P/c1-37-26-18-27(38-2)21-30(20-26)41(31-22-28(39-3)19-29(23-31)40-4)35-17-16-25-11-6-8-14-33(25)36(35)34-15-9-12-24-10-5-7-13-32(24)34/h5-23H,1-4H3.
What are the key properties of bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane has a molecular weight of 558.61 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 159583139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).