N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide

C33H26N2O — CID 170143185

IUPACN-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\C1=CCCC=C1)c1cccc2oc3ccc(C)cc3c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H26N2O/c1-22-15-20-29-28(21-22)31-27(13-8-14-30(31)36-29)32(25-11-6-3-7-12-25)35-33(34)26-18-16-24(17-19-26)23-9-4-2-5-10-23/h2,4-6,8-21,34H,3,7H2,1H3/b34-33+,35-32+
InChIKeyFGPZKEDWEGSFSS-LQTIRQTFSA-N
MW466.58 g/mol
LogP8.65
Rot. Bonds4

About N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide

N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide (PubChem CID 170143185) has the molecular formula C33H26N2O and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide
PubChem CID170143185
Molecular FormulaC33H26N2O
Molecular Weight466.58 g/mol
Exact Mass466.20
IUPAC NameN-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(\C1=CCCC=C1)c1cccc2oc3ccc(C)cc3c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H26N2O/c1-22-15-20-29-28(21-22)31-27(13-8-14-30(31)36-29)32(25-11-6-3-7-12-25)35-33(34)26-18-16-24(17-19-26)23-9-4-2-5-10-23/h2,4-6,8-21,34H,3,7H2,1H3/b34-33+,35-32+
InChIKeyFGPZKEDWEGSFSS-LQTIRQTFSA-N
XLogP8.65
TPSA49.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 58.65
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

2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide
CID 146263615
N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
CID 142615355
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145007215
N-[cyclohexa-1,5-dien-1-yl-[1-iodoethyl(methyl)amino]methylidene]benzenecarboximidamide
CID 126699904
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
N-[(E)-1-amino-2-[(Z)-prop-1-enyl]pent-2-enylidene]-4-phenylbenzenecarboximidamide;ethane;1-methyl-8-prop-2-enyldibenzofuran
CID 153369414
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643232
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
CID 145447469

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide?
The IUPAC name of N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide (CID 170143185) is N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide.
What is the SMILES notation for N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide?
The canonical SMILES for N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide is [H]/N=C(/N=C(\C1=CCCC=C1)c1cccc2oc3ccc(C)cc3c12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide?
The InChIKey is FGPZKEDWEGSFSS-LQTIRQTFSA-N. The full InChI is InChI=1S/C33H26N2O/c1-22-15-20-29-28(21-22)31-27(13-8-14-30(31)36-29)32(25-11-6-3-7-12-25)35-33(34)26-18-16-24(17-19-26)23-9-4-2-5-10-23/h2,4-6,8-21,34H,3,7H2,1H3/b34-33+,35-32+.
What are the key properties of N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide?
N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide has a molecular weight of 466.58 g/mol, XLogP of 8.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide is sourced from PubChem (CID 170143185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).