N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide

C44H29N3O — CID 137302881

IUPACN-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide
SMILES[H]/N=C(\N=C(/N)c1ccccc1)c1c(-c2ccc(-c3cc4c5ccccc5oc4c4ccccc34)cc2)c2ccccc2c2ccccc12
InChIInChI=1S/C44H29N3O/c45-43(29-12-2-1-3-13-29)47-44(46)41-35-19-8-5-15-31(35)30-14-4-7-18-34(30)40(41)28-24-22-27(23-25-28)37-26-38-33-17-10-11-21-39(33)48-42(38)36-20-9-6-16-32(36)37/h1-26H,(H3,45,46,47)
InChIKeyIPOJOYQIDIPFGJ-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.11
Rot. Bonds4

About N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide

N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide (PubChem CID 137302881) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide
PubChem CID137302881
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC NameN-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide
SMILES[H]/N=C(\N=C(/N)c1ccccc1)c1c(-c2ccc(-c3cc4c5ccccc5oc4c4ccccc34)cc2)c2ccccc2c2ccccc12
InChIInChI=1S/C44H29N3O/c45-43(29-12-2-1-3-13-29)47-44(46)41-35-19-8-5-15-31(35)30-14-4-7-18-34(30)40(41)28-24-22-27(23-25-28)37-26-38-33-17-10-11-21-39(33)48-42(38)36-20-9-6-16-32(36)37/h1-26H,(H3,45,46,47)
InChIKeyIPOJOYQIDIPFGJ-UHFFFAOYSA-N
XLogP11.11
TPSA75.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[amino(phenyl)methylidene]-10-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]phenanthrene-9-carboximidamide;toluene
CID 145303561
5-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487627
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
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
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
N'-[N-[[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 135247152
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277
12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 163540975
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
CID 142615355
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide (CID 137302881) is N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide is [H]/N=C(\N=C(/N)c1ccccc1)c1c(-c2ccc(-c3cc4c5ccccc5oc4c4ccccc34)cc2)c2ccccc2c2ccccc12.
What is the InChIKey of N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide?
The InChIKey is IPOJOYQIDIPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c45-43(29-12-2-1-3-13-29)47-44(46)41-35-19-8-5-15-31(35)30-14-4-7-18-34(30)40(41)28-24-22-27(23-25-28)37-26-38-33-17-10-11-21-39(33)48-42(38)36-20-9-6-16-32(36)37/h1-26H,(H3,45,46,47).
What are the key properties of N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide?
N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide has a molecular weight of 615.74 g/mol, XLogP of 11.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide is sourced from PubChem (CID 137302881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).