1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene

C41H33O2P — CID 139840135

IUPAC1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
SMILESCOc1c(C)cc(-c2ccc3ccccc3c2-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1C
InChIInChI=1S/C41H33O2P/c1-28-26-32(27-29(2)41(28)43-3)37-24-22-30-14-10-12-20-35(30)39(37)40-36-21-13-11-15-31(36)23-25-38(40)44(42,33-16-6-4-7-17-33)34-18-8-5-9-19-34/h4-27H,1-3H3
InChIKeyWUNDCFQGQLFPNS-UHFFFAOYSA-N
MW588.69 g/mol
LogP9.59
Rot. Bonds6

About 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene

1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene (PubChem CID 139840135) has the molecular formula C41H33O2P and a molecular weight of 588.69 g/mol. Its IUPAC name is 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene.

Molecular Properties

Compound Name1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
PubChem CID139840135
Molecular FormulaC41H33O2P
Molecular Weight588.69 g/mol
Exact Mass588.22
IUPAC Name1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
SMILESCOc1c(C)cc(-c2ccc3ccccc3c2-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1C
InChIInChI=1S/C41H33O2P/c1-28-26-32(27-29(2)41(28)43-3)37-24-22-30-14-10-12-20-35(30)39(37)40-36-21-13-11-15-31(36)23-25-38(40)44(42,33-16-6-4-7-17-33)34-18-8-5-9-19-34/h4-27H,1-3H3
InChIKeyWUNDCFQGQLFPNS-UHFFFAOYSA-N
XLogP9.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.69
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Multicaulin
CID 467782
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
AR-D38 2,7-Dimethoxyphenanthrene
CID 299494
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
2-(4-Methoxy-benzyl)-naphthalen-1-ol
CID 15617839
1-Methoxy-4,7-dimethyl-2-propan-2-ylnaphthalene
CID 85866488
9-Methoxyanthracene
CID 16965
9,10-Di-p-anisylanthracene
CID 374567
2-(4-Methoxystyryl)naphthalene
CID 1224130
6,6'-Dimethoxy-2,2'-binaphthalenyl
CID 349174
9-Methoxyphenanthrene
CID 610364

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene?
The IUPAC name of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene (CID 139840135) is 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene.
What is the SMILES notation for 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene?
The canonical SMILES for 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene is COc1c(C)cc(-c2ccc3ccccc3c2-c2c(P(=O)(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1C.
What is the InChIKey of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene?
The InChIKey is WUNDCFQGQLFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33O2P/c1-28-26-32(27-29(2)41(28)43-3)37-24-22-30-14-10-12-20-35(30)39(37)40-36-21-13-11-15-31(36)23-25-38(40)44(42,33-16-6-4-7-17-33)34-18-8-5-9-19-34/h4-27H,1-3H3.
What are the key properties of 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene?
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene has a molecular weight of 588.69 g/mol, XLogP of 9.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene is sourced from PubChem (CID 139840135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).