3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide

C47H33N3O — CID 144782067

IUPAC3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1cccc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)c1)c1ccccc1
InChIInChI=1S/C47H33N3O/c1-31(33-16-5-3-6-17-33)48-47(49-32(2)34-18-7-4-8-19-34)36-21-13-20-35(30-36)37-24-14-25-40-41-26-15-29-44(46(41)51-45(37)40)50-42-27-11-9-22-38(42)39-23-10-12-28-43(39)50/h3-30H,1H2,2H3/b48-47-,49-32+
InChIKeyDDRCOFRQOPVBNU-CNKMCWGESA-N
MW655.80 g/mol
LogP12.28
Rot. Bonds6

About 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide

3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide (PubChem CID 144782067) has the molecular formula C47H33N3O and a molecular weight of 655.80 g/mol. Its IUPAC name is 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide.

Molecular Properties

Compound Name3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
PubChem CID144782067
Molecular FormulaC47H33N3O
Molecular Weight655.80 g/mol
Exact Mass655.26
IUPAC Name3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1cccc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)c1)c1ccccc1
InChIInChI=1S/C47H33N3O/c1-31(33-16-5-3-6-17-33)48-47(49-32(2)34-18-7-4-8-19-34)36-21-13-20-35(30-36)37-24-14-25-40-41-26-15-29-44(46(41)51-45(37)40)50-42-27-11-9-22-38(42)39-23-10-12-28-43(39)50/h3-30H,1H2,2H3/b48-47-,49-32+
InChIKeyDDRCOFRQOPVBNU-CNKMCWGESA-N
XLogP12.28
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 512.28
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

9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
N-ethylidene-N'-(1-phenylethenyl)-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzenecarboximidamide
CID 142322277
3-[(E)-[7-(3-carbazol-9-ylphenyl)-3-methylidene-1-benzofuran-2-ylidene]-(1-phenylethylideneamino)methyl]benzonitrile;ethane
CID 142550958
N-[1-[9-(2-phenylcarbazol-9-yl)dibenzofuran-3-yl]propylidene]-N'-[1-(3-phenylphenyl)ethenyl]benzenecarboximidamide
CID 146335675
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
CID 59147591
9,9-dimethyl-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)xanthene-4-carboximidamide
CID 144825890
2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
CID 140760353

Frequently Asked Questions

What is the IUPAC name of 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide?
The IUPAC name of 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide (CID 144782067) is 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide.
What is the SMILES notation for 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide?
The canonical SMILES for 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide is C=C(/N=C(\N=C(/C)c1ccccc1)c1cccc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)c1)c1ccccc1.
What is the InChIKey of 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide?
The InChIKey is DDRCOFRQOPVBNU-CNKMCWGESA-N. The full InChI is InChI=1S/C47H33N3O/c1-31(33-16-5-3-6-17-33)48-47(49-32(2)34-18-7-4-8-19-34)36-21-13-20-35(30-36)37-24-14-25-40-41-26-15-29-44(46(41)51-45(37)40)50-42-27-11-9-22-38(42)39-23-10-12-28-43(39)50/h3-30H,1H2,2H3/b48-47-,49-32+.
What are the key properties of 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide?
3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide has a molecular weight of 655.80 g/mol, XLogP of 12.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide is sourced from PubChem (CID 144782067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).