N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide

C54H39N3O — CID 146335675

IUPACN-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(\CC)c1ccc2c(c1)oc1cccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c12)c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H39N3O/c1-3-47(56-54(39-21-11-6-12-22-39)55-36(2)40-23-15-24-41(33-40)37-17-7-4-8-18-37)43-30-32-46-52(35-43)58-51-28-16-27-49(53(46)51)57-48-26-14-13-25-44(48)45-31-29-42(34-50(45)57)38-19-9-5-10-20-38/h4-35H,2-3H2,1H3/b55-54+,56-47+
InChIKeyJPAFRZKFCOVUSY-BXHYMGLUSA-N
MW745.93 g/mol
LogP14.33
Rot. Bonds8

About N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide

N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide (PubChem CID 146335675) has the molecular formula C54H39N3O and a molecular weight of 745.93 g/mol. Its IUPAC name is N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide
PubChem CID146335675
Molecular FormulaC54H39N3O
Molecular Weight745.93 g/mol
Exact Mass745.31
IUPAC NameN-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(\CC)c1ccc2c(c1)oc1cccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c12)c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H39N3O/c1-3-47(56-54(39-21-11-6-12-22-39)55-36(2)40-23-15-24-41(33-40)37-17-7-4-8-18-37)43-30-32-46-52(35-43)58-51-28-16-27-49(53(46)51)57-48-26-14-13-25-44(48)45-31-29-42(34-50(45)57)38-19-9-5-10-20-38/h4-35H,2-3H2,1H3/b55-54+,56-47+
InChIKeyJPAFRZKFCOVUSY-BXHYMGLUSA-N
XLogP14.33
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.93
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080487
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 118505905
CID 174045542
CID 174045542
3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 144782067
(2E)-3-naphthalen-2-yl-N-(1-naphthalen-2-ylethenyl)-1-[6-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]penta-2,4-dien-1-imine
CID 146335797
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013

Frequently Asked Questions

What is the IUPAC name of N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide (CID 146335675) is N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide is C=C(/N=C(/N=C(\CC)c1ccc2c(c1)oc1cccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c12)c1ccccc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide?
The InChIKey is JPAFRZKFCOVUSY-BXHYMGLUSA-N. The full InChI is InChI=1S/C54H39N3O/c1-3-47(56-54(39-21-11-6-12-22-39)55-36(2)40-23-15-24-41(33-40)37-17-7-4-8-18-37)43-30-32-46-52(35-43)58-51-28-16-27-49(53(46)51)57-48-26-14-13-25-44(48)45-31-29-42(34-50(45)57)38-19-9-5-10-20-38/h4-35H,2-3H2,1H3/b55-54+,56-47+.
What are the key properties of N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide?
N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide has a molecular weight of 745.93 g/mol, XLogP of 14.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 146335675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).