1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine

C32H26Cl2NOP — CID 135082909

IUPAC1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(Cl)cc2P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H26Cl2NOP/c1-36-28-21-19-27(20-22-28)35-24-25-17-18-26(33)23-32(25)37(34,29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3/b35-24+
InChIKeySOOPTSOMFLDATQ-JWHWKPFMSA-N
MW542.45 g/mol
LogP7.41
Rot. Bonds7

About 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine

1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine (PubChem CID 135082909) has the molecular formula C32H26Cl2NOP and a molecular weight of 542.45 g/mol. Its IUPAC name is 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine
PubChem CID135082909
Molecular FormulaC32H26Cl2NOP
Molecular Weight542.45 g/mol
Exact Mass541.11
IUPAC Name1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(Cl)cc2P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H26Cl2NOP/c1-36-28-21-19-27(20-22-28)35-24-25-17-18-26(33)23-32(25)37(34,29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3/b35-24+
InChIKeySOOPTSOMFLDATQ-JWHWKPFMSA-N
XLogP7.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.45
LogP ≤ 57.41
H-Bond Donors ≤ 50
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 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine (CID 135082909) is 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2ccc(Cl)cc2P(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine?
The InChIKey is SOOPTSOMFLDATQ-JWHWKPFMSA-N. The full InChI is InChI=1S/C32H26Cl2NOP/c1-36-28-21-19-27(20-22-28)35-24-25-17-18-26(33)23-32(25)37(34,29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3/b35-24+.
What are the key properties of 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine?
1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine has a molecular weight of 542.45 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[chloro(triphenyl)-λ5-phosphanyl]phenyl]-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 135082909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).