N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide

C46H32N4O — CID 170130884

IUPACN'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)c1)c1ccccc1
InChIInChI=1S/C46H32N4O/c1-47-45(32-16-6-3-7-17-32)49-46(48-30-31-14-4-2-5-15-31)34-18-12-19-35(28-34)50-40-23-10-8-20-37(40)39-29-33(26-27-41(39)50)36-22-13-25-43-44(36)38-21-9-11-24-42(38)51-43/h2-29H,1,30H2/b48-46-,49-45-
InChIKeyZUVMJUXNNSCSQD-YAEMSQBESA-N
MW656.79 g/mol
LogP11.44
Rot. Bonds6

About N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide

N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide (PubChem CID 170130884) has the molecular formula C46H32N4O and a molecular weight of 656.79 g/mol. Its IUPAC name is N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
PubChem CID170130884
Molecular FormulaC46H32N4O
Molecular Weight656.79 g/mol
Exact Mass656.26
IUPAC NameN'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)c1)c1ccccc1
InChIInChI=1S/C46H32N4O/c1-47-45(32-16-6-3-7-17-32)49-46(48-30-31-14-4-2-5-15-31)34-18-12-19-35(28-34)50-40-23-10-8-20-37(40)39-29-33(26-27-41(39)50)36-22-13-25-43-44(36)38-21-9-11-24-42(38)51-43/h2-29H,1,30H2/b48-46-,49-45-
InChIKeyZUVMJUXNNSCSQD-YAEMSQBESA-N
XLogP11.44
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 511.44
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

N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
CID 166988287
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
N'-benzyl-N-methylidenebenzenecarboximidamide;N-[[3-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]phenyl]methyl]methanimine
CID 145358373
N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142519466
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-(N-benzyl-C-phenylcarbonimidoyl)-7-fluoranthen-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170229475
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
N'-[(4-dibenzofuran-1-ylnaphthalen-2-yl)methyl]-N-[(methylideneamino)-phenylmethylidene]naphthalene-2-carboximidamide
CID 170424013
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-dibenzofuran-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170423493

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide (CID 170130884) is N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide is C=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)c1)c1ccccc1.
What is the InChIKey of N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
The InChIKey is ZUVMJUXNNSCSQD-YAEMSQBESA-N. The full InChI is InChI=1S/C46H32N4O/c1-47-45(32-16-6-3-7-17-32)49-46(48-30-31-14-4-2-5-15-31)34-18-12-19-35(28-34)50-40-23-10-8-20-37(40)39-29-33(26-27-41(39)50)36-22-13-25-43-44(36)38-21-9-11-24-42(38)51-43/h2-29H,1,30H2/b48-46-,49-45-.
What are the key properties of N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide?
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide has a molecular weight of 656.79 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 170130884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).