N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide

C45H32N4O — CID 170136276

IUPACN-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)cc32)c1)c1ccccc1
InChIInChI=1S/C45H32N4O/c46-44(31-14-5-2-6-15-31)48-45(47-29-30-12-3-1-4-13-30)34-16-11-17-35(26-34)49-40-20-9-7-18-36(40)37-24-22-33(28-41(37)49)32-23-25-43-39(27-32)38-19-8-10-21-42(38)50-43/h1-28H,29H2,(H2,46,47,48)
InChIKeyIYCQITWZMXJVAS-UHFFFAOYSA-N
MW644.78 g/mol
LogP10.70
Rot. Bonds6

About N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide

N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide (PubChem CID 170136276) has the molecular formula C45H32N4O and a molecular weight of 644.78 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
PubChem CID170136276
Molecular FormulaC45H32N4O
Molecular Weight644.78 g/mol
Exact Mass644.26
IUPAC NameN-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)cc32)c1)c1ccccc1
InChIInChI=1S/C45H32N4O/c46-44(31-14-5-2-6-15-31)48-45(47-29-30-12-3-1-4-13-30)34-16-11-17-35(26-34)49-40-20-9-7-18-36(40)37-24-22-33(28-41(37)49)32-23-25-43-39(27-32)38-19-8-10-21-42(38)50-43/h1-28H,29H2,(H2,46,47,48)
InChIKeyIYCQITWZMXJVAS-UHFFFAOYSA-N
XLogP10.70
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 510.70
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'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
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
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N-[amino(phenyl)methylidene]-4-([1]benzofuro[2,3-a]carbazol-12-yl)-N'-benzylbenzenecarboximidamide
CID 156624021
2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140998
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N-[amino(phenyl)methylidene]-N'-benzyl-3-(16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaen-10-yl)benzenecarboximidamide
CID 144645140
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
CID 156643243
N'-[N-[[4-[3-(1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaen-4-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 144906675

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide (CID 170136276) is N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide is N/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)cc32)c1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide?
The InChIKey is IYCQITWZMXJVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4O/c46-44(31-14-5-2-6-15-31)48-45(47-29-30-12-3-1-4-13-30)34-16-11-17-35(26-34)49-40-20-9-7-18-36(40)37-24-22-33(28-41(37)49)32-23-25-43-39(27-32)38-19-8-10-21-42(38)50-43/h1-28H,29H2,(H2,46,47,48).
What are the key properties of N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide?
N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide has a molecular weight of 644.78 g/mol, XLogP of 10.70, 6 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-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide is sourced from PubChem (CID 170136276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).