N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide

C51H36N4O — CID 170137005

IUPACN-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C51H36N4O/c52-50(36-18-8-3-9-19-36)54-51(53-33-34-14-4-1-5-15-34)39-26-29-46(43(31-39)35-16-6-2-7-17-35)55-45-22-12-10-20-40(45)44-30-37(25-28-47(44)55)38-24-27-42-41-21-11-13-23-48(41)56-49(42)32-38/h1-32H,33H2,(H2,52,53,54)
InChIKeyIYYLGAQARUEJRO-UHFFFAOYSA-N
MW720.88 g/mol
LogP12.37
Rot. Bonds7

About N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide

N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide (PubChem CID 170137005) has the molecular formula C51H36N4O and a molecular weight of 720.88 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
PubChem CID170137005
Molecular FormulaC51H36N4O
Molecular Weight720.88 g/mol
Exact Mass720.29
IUPAC NameN-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C51H36N4O/c52-50(36-18-8-3-9-19-36)54-51(53-33-34-14-4-1-5-15-34)39-26-29-46(43(31-39)35-16-6-2-7-17-35)55-45-22-12-10-20-40(45)44-30-37(25-28-47(44)55)38-24-27-42-41-21-11-13-23-48(41)56-49(42)32-38/h1-32H,33H2,(H2,52,53,54)
InChIKeyIYYLGAQARUEJRO-UHFFFAOYSA-N
XLogP12.37
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.88
LogP ≤ 512.37
H-Bond Donors ≤ 51
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-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
CID 170131255
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N-[amino(phenyl)methylidene]-N'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042
N-[amino(phenyl)methylidene]-4-([1]benzofuro[2,3-a]carbazol-12-yl)-N'-benzylbenzenecarboximidamide
CID 156624021
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-[N-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 170135017
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide (CID 170137005) is N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide is N/C(=N\C(=N\Cc1ccccc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide?
The InChIKey is IYYLGAQARUEJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O/c52-50(36-18-8-3-9-19-36)54-51(53-33-34-14-4-1-5-15-34)39-26-29-46(43(31-39)35-16-6-2-7-17-35)55-45-22-12-10-20-40(45)44-30-37(25-28-47(44)55)38-24-27-42-41-21-11-13-23-48(41)56-49(42)32-38/h1-32H,33H2,(H2,52,53,54).
What are the key properties of N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide?
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide has a molecular weight of 720.88 g/mol, XLogP of 12.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 170137005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).