N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide

C64H44N4O2 — CID 156642941

IUPACN-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/c1cccc2oc3ccc(-c4cccc5oc6c(-n7c(/C=C\C=C)c(C)c8ccccc87)cccc6c45)cc3c12)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C64H44N4O2/c1-3-4-30-54-41(2)50-27-11-12-31-55(50)68(54)56-32-16-29-52-61-51(28-17-34-59(61)70-62(52)56)46-35-36-57-53(39-46)60-49(26-15-33-58(60)69-57)40-66-64(48-25-14-23-45(38-48)43-20-9-6-10-21-43)67-63(65)47-24-13-22-44(37-47)42-18-7-5-8-19-42/h3-40,65H,1H2,2H3/b30-4-,65-63+,66-40+,67-64+
InChIKeyANQJYBLLSXMJQN-LYJOSFJZSA-N
MW901.08 g/mol
LogP16.83
Rot. Bonds9

About N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide

N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide (PubChem CID 156642941) has the molecular formula C64H44N4O2 and a molecular weight of 901.08 g/mol. Its IUPAC name is N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide
PubChem CID156642941
Molecular FormulaC64H44N4O2
Molecular Weight901.08 g/mol
Exact Mass900.35
IUPAC NameN-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/c1cccc2oc3ccc(-c4cccc5oc6c(-n7c(/C=C\C=C)c(C)c8ccccc87)cccc6c45)cc3c12)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C64H44N4O2/c1-3-4-30-54-41(2)50-27-11-12-31-55(50)68(54)56-32-16-29-52-61-51(28-17-34-59(61)70-62(52)56)46-35-36-57-53(39-46)60-49(26-15-33-58(60)69-57)40-66-64(48-25-14-23-45(38-48)43-20-9-6-10-21-43)67-63(65)47-24-13-22-44(37-47)42-18-7-5-8-19-42/h3-40,65H,1H2,2H3/b30-4-,65-63+,66-40+,67-64+
InChIKeyANQJYBLLSXMJQN-LYJOSFJZSA-N
XLogP16.83
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.08
LogP ≤ 516.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzothiophen-1-yl]dibenzofuran-1-yl]methylideneamino]-[3-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]methylidene]-3-phenylbenzenecarboximidamide
CID 156643402
N-[(2E)-1-[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzothiophen-1-yl]dibenzofuran-1-yl]methylideneamino]-2-ethenylpenta-2,4-dienylidene]-3-cyclohexa-1,5-dien-1-ylbenzenecarboximidamide
CID 156643078
N-[phenyl-[[8-(6-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methylideneamino]methylidene]benzenecarboximidamide
CID 156643465
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
N-[[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]methylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 144955964
N-[(3-dibenzofuran-4-ylphenyl)methylidene]-N'-(3-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide
CID 176837498
N'-(benzenecarboximidoyl)-3-(5-dibenzofuran-2-yltriphenylen-2-yl)-N-methylidenebenzenecarboximidamide
CID 145452775
N-[(3-dibenzothiophen-1-ylphenyl)-[(6-phenyldibenzofuran-3-yl)methylideneamino]methylidene]dibenzofuran-3-carboximidamide
CID 159572337
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide
CID 176767129
3-[4-([1]benzofuro[3,2-c]quinolin-6-yl)phenyl]-N-[(benzylideneamino)-(3-carbazol-9-ylphenyl)methylidene]benzenecarboximidamide;N-[[4-([1]benzofuro[3,2-c]quinolin-6-yl)phenyl]-[(3-carbazol-9-ylphenyl)methylideneamino]methylidene]-3-phenylbenzenecarboximidamide;6-[4-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163945880
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282

Frequently Asked Questions

What is the IUPAC name of N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide?
The IUPAC name of N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide (CID 156642941) is N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide?
The canonical SMILES for N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide is [H]/N=C(/N=C(/N=C/c1cccc2oc3ccc(-c4cccc5oc6c(-n7c(/C=C\C=C)c(C)c8ccccc87)cccc6c45)cc3c12)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide?
The InChIKey is ANQJYBLLSXMJQN-LYJOSFJZSA-N. The full InChI is InChI=1S/C64H44N4O2/c1-3-4-30-54-41(2)50-27-11-12-31-55(50)68(54)56-32-16-29-52-61-51(28-17-34-59(61)70-62(52)56)46-35-36-57-53(39-46)60-49(26-15-33-58(60)69-57)40-66-64(48-25-14-23-45(38-48)43-20-9-6-10-21-43)67-63(65)47-24-13-22-44(37-47)42-18-7-5-8-19-42/h3-40,65H,1H2,2H3/b30-4-,65-63+,66-40+,67-64+.
What are the key properties of N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide?
N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide has a molecular weight of 901.08 g/mol, XLogP of 16.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[8-[6-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]dibenzofuran-1-yl]dibenzofuran-1-yl]methylideneamino]-(3-phenylphenyl)methylidene]-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 156642941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).