N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide

C45H31N3O — CID 176837504

IUPACN-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C45H31N3O/c46-44(41-26-14-25-40-39-24-13-23-38(42(39)49-43(40)41)34-21-11-4-12-22-34)48-45(47-30-31-15-5-1-6-16-31)37-28-35(32-17-7-2-8-18-32)27-36(29-37)33-19-9-3-10-20-33/h1-30,46H/b46-44-,47-30+,48-45-
InChIKeyRUZYLQMAEKGIMQ-DZHYDGORSA-N
MW629.76 g/mol
LogP11.48
Rot. Bonds6

About N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide

N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide (PubChem CID 176837504) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide.

Molecular Properties

Compound NameN-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide
PubChem CID176837504
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC NameN-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C45H31N3O/c46-44(41-26-14-25-40-39-24-13-23-38(42(39)49-43(40)41)34-21-11-4-12-22-34)48-45(47-30-31-15-5-1-6-16-31)37-28-35(32-17-7-2-8-18-32)27-36(29-37)33-19-9-3-10-20-33/h1-30,46H/b46-44-,47-30+,48-45-
InChIKeyRUZYLQMAEKGIMQ-DZHYDGORSA-N
XLogP11.48
TPSA61.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 511.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide
CID 176831362
N-[(3-dibenzofuran-4-ylphenyl)methylidene]-N'-(3-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide
CID 176837498
N-[(3-dibenzothiophen-1-ylphenyl)-[(6-phenyldibenzofuran-3-yl)methylideneamino]methylidene]dibenzofuran-3-carboximidamide
CID 159572337
N'-(benzenecarboximidoyl)-N-benzylidene-9-[8-(2-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4-carboximidamide
CID 169010683
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
CID 167401485
N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide
CID 176767129
N-[phenyl-[[8-(6-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methylideneamino]methylidene]benzenecarboximidamide
CID 156643465
N'-(benzenecarboximidoyl)-4-(4-cyanophenyl)-N-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]methylidene]benzenecarboximidamide
CID 163703130
N-benzylidene-3-phenyl-N'-[4-[4-(3-thia-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-11-yl)phenyl]benzenecarboximidoyl]benzenecarboximidamide
CID 162703569
N-[[[6-(3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)naphthalen-2-yl]methylideneamino]-phenylmethylidene]benzenecarboximidamide
CID 164723928
2-(3,5-diphenylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-c]quinoline;N-[[[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]methylideneamino]-phenylmethylidene]benzenecarboximidamide;[5-(3,5-diphenylphenyl)-2-phenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]furan-3-yl]-phenylmethanimine
CID 165069252
N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide
CID 166751347

Frequently Asked Questions

What is the IUPAC name of N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide?
The IUPAC name of N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide (CID 176837504) is N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide.
What is the SMILES notation for N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide?
The canonical SMILES for N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide is [H]/N=C(\N=C(/N=C/c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cccc2c1oc1c(-c3ccccc3)cccc12.
What is the InChIKey of N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide?
The InChIKey is RUZYLQMAEKGIMQ-DZHYDGORSA-N. The full InChI is InChI=1S/C45H31N3O/c46-44(41-26-14-25-40-39-24-13-23-38(42(39)49-43(40)41)34-21-11-4-12-22-34)48-45(47-30-31-15-5-1-6-16-31)37-28-35(32-17-7-2-8-18-32)27-36(29-37)33-19-9-3-10-20-33/h1-30,46H/b46-44-,47-30+,48-45-.
What are the key properties of N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide?
N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide has a molecular weight of 629.76 g/mol, XLogP of 11.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide is sourced from PubChem (CID 176837504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).