N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

C43H31N3O — CID 177112541

IUPACN-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2cccc3c2ccc2c4ccccc4oc32)c1)c1ccccc1
InChIInChI=1S/C43H31N3O/c44-42(32-13-5-2-6-14-32)46-43(45-28-29-21-23-31(24-22-29)30-11-3-1-4-12-30)34-16-9-15-33(27-34)35-18-10-19-38-36(35)25-26-39-37-17-7-8-20-40(37)47-41(38)39/h1-27H,28H2,(H2,44,45,46)
InChIKeyFCGOCNBIOGOXLL-UHFFFAOYSA-N
MW605.74 g/mol
LogP10.43
Rot. Bonds6

About N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide

N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (PubChem CID 177112541) has the molecular formula C43H31N3O and a molecular weight of 605.74 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
PubChem CID177112541
Molecular FormulaC43H31N3O
Molecular Weight605.74 g/mol
Exact Mass605.25
IUPAC NameN-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2cccc3c2ccc2c4ccccc4oc32)c1)c1ccccc1
InChIInChI=1S/C43H31N3O/c44-42(32-13-5-2-6-14-32)46-43(45-28-29-21-23-31(24-22-29)30-11-3-1-4-12-30)34-16-9-15-33(27-34)35-18-10-19-38-36(35)25-26-39-37-17-7-8-20-40(37)47-41(38)39/h1-27H,28H2,(H2,44,45,46)
InChIKeyFCGOCNBIOGOXLL-UHFFFAOYSA-N
XLogP10.43
TPSA63.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 510.43
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-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N-[amino(phenyl)methylidene]-N'-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-3-phenylbenzenecarboximidamide
CID 170135042
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 166988217
2-phenyl-4-(4-phenylphenyl)-N'-[C-phenyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]-[1]benzofuro[3,2-d]pyrimidine-7-carboximidamide
CID 170946791
N'-[N-[[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 170135017
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N-[amino(phenyl)methylidene]-4-([1]benzofuro[2,3-a]carbazol-12-yl)-N'-benzylbenzenecarboximidamide
CID 156624021
N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide
CID 167008229
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
4-phenyl-N'-[C-phenyl-N-[[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 145452740

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide (CID 177112541) is N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is N/C(=N\C(=N\Cc1ccc(-c2ccccc2)cc1)c1cccc(-c2cccc3c2ccc2c4ccccc4oc32)c1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
The InChIKey is FCGOCNBIOGOXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O/c44-42(32-13-5-2-6-14-32)46-43(45-28-29-21-23-31(24-22-29)30-11-3-1-4-12-30)34-16-9-15-33(27-34)35-18-10-19-38-36(35)25-26-39-37-17-7-8-20-40(37)47-41(38)39/h1-27H,28H2,(H2,44,45,46).
What are the key properties of N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide?
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide has a molecular weight of 605.74 g/mol, XLogP of 10.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 177112541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).