N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

C47H33N3O — CID 135247152

IUPACN'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1cc2ccccc2cc1-c1ccc(-c2c3ccccc3cc3c2oc2ccccc23)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C47H33N3O/c48-46(33-13-3-1-4-14-33)50-47(34-15-5-2-6-16-34)49-30-38-27-35-17-7-8-18-36(35)28-41(38)31-23-25-32(26-24-31)44-39-20-10-9-19-37(39)29-42-40-21-11-12-22-43(40)51-45(42)44/h1-29H,30H2,(H2,48,49,50)
InChIKeyMYACNIWRNBZQMJ-UHFFFAOYSA-N
MW655.80 g/mol
LogP11.58
Rot. Bonds6

About N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide (PubChem CID 135247152) has the molecular formula C47H33N3O and a molecular weight of 655.80 g/mol. Its IUPAC name is N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
PubChem CID135247152
Molecular FormulaC47H33N3O
Molecular Weight655.80 g/mol
Exact Mass655.26
IUPAC NameN'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
SMILESN/C(=N\C(=N/Cc1cc2ccccc2cc1-c1ccc(-c2c3ccccc3cc3c2oc2ccccc23)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C47H33N3O/c48-46(33-13-3-1-4-14-33)50-47(34-15-5-2-6-16-34)49-30-38-27-35-17-7-8-18-36(35)28-41(38)31-23-25-32(26-24-31)44-39-20-10-9-19-37(39)29-42-40-21-11-12-22-43(40)51-45(42)44/h1-29H,30H2,(H2,48,49,50)
InChIKeyMYACNIWRNBZQMJ-UHFFFAOYSA-N
XLogP11.58
TPSA63.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 511.58
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'-[N-[(6-dibenzofuran-2-yldibenzofuran-1-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 166988217
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568966
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N'-[N-[(8-dibenzofuran-4-yldibenzothiophen-4-yl)methyl]-C-phenylcarbonimidoyl]dibenzothiophene-4-carboximidamide
CID 146542421
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N-[(2E,4Z)-1-amino-2-ethenylhexa-2,4-dienylidene]-N'-[[10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthren-9-yl]methyl]benzenecarboximidamide
CID 135245364
N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide
CID 137302881
6-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568957
3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
CID 134487576
6-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 88568939

Frequently Asked Questions

What is the IUPAC name of N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The IUPAC name of N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide (CID 135247152) is N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The canonical SMILES for N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide is N/C(=N\C(=N/Cc1cc2ccccc2cc1-c1ccc(-c2c3ccccc3cc3c2oc2ccccc23)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The InChIKey is MYACNIWRNBZQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O/c48-46(33-13-3-1-4-14-33)50-47(34-15-5-2-6-16-34)49-30-38-27-35-17-7-8-18-36(35)28-41(38)31-23-25-32(26-24-31)44-39-20-10-9-19-37(39)29-42-40-21-11-12-22-43(40)51-45(42)44/h1-29H,30H2,(H2,48,49,50).
What are the key properties of N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide has a molecular weight of 655.80 g/mol, XLogP of 11.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 135247152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).