[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C48H39O4P — CID 160884923

IUPAC[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCOc1ccc(-c2cccc3c(-c4c(P(c5ccccc5)c5ccccc5)ccc5c(-c6ccc(OC)c(OC)c6)cccc45)cccc23)cc1OC
InChIInChI=1S/C48H39O4P/c1-49-43-27-24-32(30-45(43)51-3)36-18-11-21-39-38(36)20-13-23-41(39)48-42-22-12-19-37(33-25-28-44(50-2)46(31-33)52-4)40(42)26-29-47(48)53(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-31H,1-4H3
InChIKeySNMZHZWUVMPUSJ-UHFFFAOYSA-N
MW710.81 g/mol
LogP10.79
Rot. Bonds10

About [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 160884923) has the molecular formula C48H39O4P and a molecular weight of 710.81 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID160884923
Molecular FormulaC48H39O4P
Molecular Weight710.81 g/mol
Exact Mass710.26
IUPAC Name[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCOc1ccc(-c2cccc3c(-c4c(P(c5ccccc5)c5ccccc5)ccc5c(-c6ccc(OC)c(OC)c6)cccc45)cccc23)cc1OC
InChIInChI=1S/C48H39O4P/c1-49-43-27-24-32(30-45(43)51-3)36-18-11-21-39-38(36)20-13-23-41(39)48-42-22-12-19-37(33-25-28-44(50-2)46(31-33)52-4)40(42)26-29-47(48)53(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-31H,1-4H3
InChIKeySNMZHZWUVMPUSJ-UHFFFAOYSA-N
XLogP10.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.81
LogP ≤ 510.79
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

[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane
CID 11006296
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
CID 175500352
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
bis(3,5-dimethoxyphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 159583139
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 160884923) is [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is COc1ccc(-c2cccc3c(-c4c(P(c5ccccc5)c5ccccc5)ccc5c(-c6ccc(OC)c(OC)c6)cccc45)cccc23)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is SNMZHZWUVMPUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39O4P/c1-49-43-27-24-32(30-45(43)51-3)36-18-11-21-39-38(36)20-13-23-41(39)48-42-22-12-19-37(33-25-28-44(50-2)46(31-33)52-4)40(42)26-29-47(48)53(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-31H,1-4H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 710.81 g/mol, XLogP of 10.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 160884923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).