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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
CID 11754993
1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 10459654
2-diphenylphosphoryl-1-methylnaphthalene
CID 150613039
[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol
CID 54257520
9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
CID 163479124
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline
CID 54170219
2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene;europium;4,4,4-trifluoro-1-phenylbutane-1,3-diol
CID 59762603
2-(2-diphenylphosphorylnaphthalen-1-yl)-1-ethyl-4,5-diphenylimidazole
CID 134590299
2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol
CID 135069089
ethyl 5-diphenylphosphoryl-4-(2-phenylnaphthalen-1-yl)-1H-pyrazole-3-carboxylate
CID 175394870

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).