N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide

C56H44N4O — CID 163938502

IUPACN-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide
SMILESC/C=C(\N=C(/N=C(\C)c1cccc2c1oc1ccccc12)c1cccc2c1Cc1cccc(-c3nc(-c4ccccc4)c(CC)c(-c4ccccc4C)n3)c1-2)c1ccccc1
InChIInChI=1S/C56H44N4O/c1-5-40-52(38-23-11-8-12-24-38)59-56(60-53(40)41-26-14-13-20-35(41)3)47-32-17-25-39-34-48-44(51(39)47)29-19-31-46(48)55(58-49(6-2)37-21-9-7-10-22-37)57-36(4)42-28-18-30-45-43-27-15-16-33-50(43)61-54(42)45/h6-33H,5,34H2,1-4H3/b49-6-,57-36+,58-55-
InChIKeyROXWUUKBABEDOH-DSRNGEQCSA-N
MW789.00 g/mol
LogP14.14
Rot. Bonds8

About N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide

N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide (PubChem CID 163938502) has the molecular formula C56H44N4O and a molecular weight of 789.00 g/mol. Its IUPAC name is N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide.

Molecular Properties

Compound NameN-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide
PubChem CID163938502
Molecular FormulaC56H44N4O
Molecular Weight789.00 g/mol
Exact Mass788.35
IUPAC NameN-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide
SMILESC/C=C(\N=C(/N=C(\C)c1cccc2c1oc1ccccc12)c1cccc2c1Cc1cccc(-c3nc(-c4ccccc4)c(CC)c(-c4ccccc4C)n3)c1-2)c1ccccc1
InChIInChI=1S/C56H44N4O/c1-5-40-52(38-23-11-8-12-24-38)59-56(60-53(40)41-26-14-13-20-35(41)3)47-32-17-25-39-34-48-44(51(39)47)29-19-31-46(48)55(58-49(6-2)37-21-9-7-10-22-37)57-36(4)42-28-18-30-45-43-27-15-16-33-50(43)61-54(42)45/h6-33H,5,34H2,1-4H3/b49-6-,57-36+,58-55-
InChIKeyROXWUUKBABEDOH-DSRNGEQCSA-N
XLogP14.14
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.00
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[1-[7-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-yl]ethylidene]benzenecarboximidamide
CID 163931726
N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide
CID 158024792
2-(6H-benzo[c]chromen-1-yl)-4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169281785
2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
CID 175626911
2,4-di(dibenzofuran-4-yl)-6-(2,3,4-triphenylphenyl)-1,3,5-triazine
CID 167349521
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 163865738
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 164945010

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide?
The IUPAC name of N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide (CID 163938502) is N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide.
What is the SMILES notation for N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide?
The canonical SMILES for N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide is C/C=C(\N=C(/N=C(\C)c1cccc2c1oc1ccccc12)c1cccc2c1Cc1cccc(-c3nc(-c4ccccc4)c(CC)c(-c4ccccc4C)n3)c1-2)c1ccccc1.
What is the InChIKey of N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide?
The InChIKey is ROXWUUKBABEDOH-DSRNGEQCSA-N. The full InChI is InChI=1S/C56H44N4O/c1-5-40-52(38-23-11-8-12-24-38)59-56(60-53(40)41-26-14-13-20-35(41)3)47-32-17-25-39-34-48-44(51(39)47)29-19-31-46(48)55(58-49(6-2)37-21-9-7-10-22-37)57-36(4)42-28-18-30-45-43-27-15-16-33-50(43)61-54(42)45/h6-33H,5,34H2,1-4H3/b49-6-,57-36+,58-55-.
What are the key properties of N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide?
N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide has a molecular weight of 789.00 g/mol, XLogP of 14.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibenzofuran-4-ylethylidene)-5-[5-ethyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-N'-[(Z)-1-phenylprop-1-enyl]-9H-fluorene-1-carboximidamide is sourced from PubChem (CID 163938502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).