N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine

C49H38FNO2 — CID 130374319

IUPACN-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine
SMILESCC/C(=N\C(=C/Cc1cc(-c2ccc3oc4c(c3c2)C(C)CC=C4)cc(-c2ccc3oc4ccccc4c3c2)c1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C49H38FNO2/c1-3-43(33-11-5-4-6-12-33)51-44(34-17-21-39(50)22-18-34)23-16-32-26-37(35-19-24-46-41(29-35)40-13-7-8-14-45(40)52-46)28-38(27-32)36-20-25-47-42(30-36)49-31(2)10-9-15-48(49)53-47/h4-9,11-15,17-31H,3,10,16H2,1-2H3/b44-23-,51-43+
InChIKeyZXGYZUBBYLIFID-XSJWARRASA-N
MW691.85 g/mol
LogP13.81
Rot. Bonds8

About N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine

N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine (PubChem CID 130374319) has the molecular formula C49H38FNO2 and a molecular weight of 691.85 g/mol. Its IUPAC name is N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine
PubChem CID130374319
Molecular FormulaC49H38FNO2
Molecular Weight691.85 g/mol
Exact Mass691.29
IUPAC NameN-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine
SMILESCC/C(=N\C(=C/Cc1cc(-c2ccc3oc4c(c3c2)C(C)CC=C4)cc(-c2ccc3oc4ccccc4c3c2)c1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C49H38FNO2/c1-3-43(33-11-5-4-6-12-33)51-44(34-17-21-39(50)22-18-34)23-16-32-26-37(35-19-24-46-41(29-35)40-13-7-8-14-45(40)52-46)28-38(27-32)36-20-25-47-42(30-36)49-31(2)10-9-15-48(49)53-47/h4-9,11-15,17-31H,3,10,16H2,1-2H3/b44-23-,51-43+
InChIKeyZXGYZUBBYLIFID-XSJWARRASA-N
XLogP13.81
TPSA38.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.85
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
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CID 121449955
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CID 170293807
N'-[(Z)-1-[3-[16-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide;ethane
CID 143905949
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine?
The IUPAC name of N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine (CID 130374319) is N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine.
What is the SMILES notation for N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine?
The canonical SMILES for N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine is CC/C(=N\C(=C/Cc1cc(-c2ccc3oc4c(c3c2)C(C)CC=C4)cc(-c2ccc3oc4ccccc4c3c2)c1)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine?
The InChIKey is ZXGYZUBBYLIFID-XSJWARRASA-N. The full InChI is InChI=1S/C49H38FNO2/c1-3-43(33-11-5-4-6-12-33)51-44(34-17-21-39(50)22-18-34)23-16-32-26-37(35-19-24-46-41(29-35)40-13-7-8-14-45(40)52-46)28-38(27-32)36-20-25-47-42(30-36)49-31(2)10-9-15-48(49)53-47/h4-9,11-15,17-31H,3,10,16H2,1-2H3/b44-23-,51-43+.
What are the key properties of N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine?
N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine has a molecular weight of 691.85 g/mol, XLogP of 13.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[3-dibenzofuran-2-yl-5-(9-methyl-8,9-dihydrodibenzofuran-2-yl)phenyl]-1-(4-fluorophenyl)prop-1-enyl]-1-phenylpropan-1-imine is sourced from PubChem (CID 130374319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).