N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide

C43H28N4O2 — CID 129276142

IUPACN'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide
SMILESC=N/C(=N\C=C(/C)c1ccc2ccc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)cc2c1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C43H28N4O2/c1-26(23-45-42(44-2)36-13-7-11-34-32-9-3-5-15-38(32)48-40(34)36)28-19-17-27-18-20-29(22-30(27)21-28)31-24-46-43(47-25-31)37-14-8-12-35-33-10-4-6-16-39(33)49-41(35)37/h3-25H,2H2,1H3/b26-23+,45-42-
InChIKeyWHHBVVXKVNPOPM-UUSNTAIFSA-N
MW632.72 g/mol
LogP11.27
Rot. Bonds5

About N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide

N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide (PubChem CID 129276142) has the molecular formula C43H28N4O2 and a molecular weight of 632.72 g/mol. Its IUPAC name is N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide
PubChem CID129276142
Molecular FormulaC43H28N4O2
Molecular Weight632.72 g/mol
Exact Mass632.22
IUPAC NameN'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide
SMILESC=N/C(=N\C=C(/C)c1ccc2ccc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)cc2c1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C43H28N4O2/c1-26(23-45-42(44-2)36-13-7-11-34-32-9-3-5-15-38(32)48-40(34)36)28-19-17-27-18-20-29(22-30(27)21-28)31-24-46-43(47-25-31)37-14-8-12-35-33-10-4-6-16-39(33)49-41(35)37/h3-25H,2H2,1H3/b26-23+,45-42-
InChIKeyWHHBVVXKVNPOPM-UUSNTAIFSA-N
XLogP11.27
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.72
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide?
The IUPAC name of N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide (CID 129276142) is N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide.
What is the SMILES notation for N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide?
The canonical SMILES for N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide is C=N/C(=N\C=C(/C)c1ccc2ccc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)cc2c1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide?
The InChIKey is WHHBVVXKVNPOPM-UUSNTAIFSA-N. The full InChI is InChI=1S/C43H28N4O2/c1-26(23-45-42(44-2)36-13-7-11-34-32-9-3-5-15-38(32)48-40(34)36)28-19-17-27-18-20-29(22-30(27)21-28)31-24-46-43(47-25-31)37-14-8-12-35-33-10-4-6-16-39(33)49-41(35)37/h3-25H,2H2,1H3/b26-23+,45-42-.
What are the key properties of N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide?
N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide has a molecular weight of 632.72 g/mol, XLogP of 11.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[7-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]prop-1-enyl]-N-methylidenedibenzofuran-4-carboximidamide is sourced from PubChem (CID 129276142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).