2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol

C41H32NOP — CID 135735822

IUPAC2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N/c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1
InChIInChI=1S/C41H32NOP/c1-28-25-29(2)41(43)32(26-28)27-42-37-23-21-30-13-9-11-19-35(30)39(37)40-36-20-12-10-14-31(36)22-24-38(40)44(33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-27,43H,1-2H3/b42-27+
InChIKeyNCCPFBYZRIMKAB-UUFNBZTESA-N
MW585.69 g/mol
LogP9.49
Rot. Bonds6

About 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol

2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol (PubChem CID 135735822) has the molecular formula C41H32NOP and a molecular weight of 585.69 g/mol. Its IUPAC name is 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol
PubChem CID135735822
Molecular FormulaC41H32NOP
Molecular Weight585.69 g/mol
Exact Mass585.22
IUPAC Name2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N/c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1
InChIInChI=1S/C41H32NOP/c1-28-25-29(2)41(43)32(26-28)27-42-37-23-21-30-13-9-11-19-35(30)39(37)40-36-20-12-10-14-31(36)22-24-38(40)44(33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-27,43H,1-2H3/b42-27+
InChIKeyNCCPFBYZRIMKAB-UUFNBZTESA-N
XLogP9.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.69
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol (CID 135735822) is 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(/C=N/c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1.
What is the InChIKey of 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol?
The InChIKey is NCCPFBYZRIMKAB-UUFNBZTESA-N. The full InChI is InChI=1S/C41H32NOP/c1-28-25-29(2)41(43)32(26-28)27-42-37-23-21-30-13-9-11-19-35(30)39(37)40-36-20-12-10-14-31(36)22-24-38(40)44(33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-27,43H,1-2H3/b42-27+.
What are the key properties of 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol?
2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol has a molecular weight of 585.69 g/mol, XLogP of 9.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol is sourced from PubChem (CID 135735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).