[4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

C45H32F6N2O2 — CID 118642817

IUPAC[4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
SMILESCOc1ccc(C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C45H32F6N2O2/c1-55-42-25-24-35(27-39(42)41(32-16-8-3-9-17-32)29-53-37-20-12-5-13-21-37)43(44(46,47)48,45(49,50)51)34-23-22-33(30-54)38(26-34)40(31-14-6-2-7-15-31)28-52-36-18-10-4-11-19-36/h2-27,54H,30H2,1H3
InChIKeyJFOKUJFEGFZJEJ-UHFFFAOYSA-N
MW746.75 g/mol
LogP11.46
Rot. Bonds10

About [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

[4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (PubChem CID 118642817) has the molecular formula C45H32F6N2O2 and a molecular weight of 746.75 g/mol. Its IUPAC name is [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
PubChem CID118642817
Molecular FormulaC45H32F6N2O2
Molecular Weight746.75 g/mol
Exact Mass746.24
IUPAC Name[4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
SMILESCOc1ccc(C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C45H32F6N2O2/c1-55-42-25-24-35(27-39(42)41(32-16-8-3-9-17-32)29-53-37-20-12-5-13-21-37)43(44(46,47)48,45(49,50)51)34-23-22-33(30-54)38(26-34)40(31-14-6-2-7-15-31)28-52-36-18-10-4-11-19-36/h2-27,54H,30H2,1H3
InChIKeyJFOKUJFEGFZJEJ-UHFFFAOYSA-N
XLogP11.46
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.75
LogP ≤ 511.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The IUPAC name of [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (CID 118642817) is [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.
What is the SMILES notation for [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The canonical SMILES for [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is COc1ccc(C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1C(=C=Nc1ccccc1)c1ccccc1.
What is the InChIKey of [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The InChIKey is JFOKUJFEGFZJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32F6N2O2/c1-55-42-25-24-35(27-39(42)41(32-16-8-3-9-17-32)29-53-37-20-12-5-13-21-37)43(44(46,47)48,45(49,50)51)34-23-22-33(30-54)38(26-34)40(31-14-6-2-7-15-31)28-52-36-18-10-4-11-19-36/h2-27,54H,30H2,1H3.
What are the key properties of [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
[4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol has a molecular weight of 746.75 g/mol, XLogP of 11.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,1,1,3,3,3-hexafluoro-2-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]propan-2-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is sourced from PubChem (CID 118642817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).