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

C65H50N4OS — CID 156643402

IUPACN-[[[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
SMILES[H]/N=C(/N=C(/N=C/c1cccc2oc3ccc(-c4cccc5sc6c(-n7c(/C=C\C=C)c(C)c8ccccc87)cccc6c45)cc3c12)c1cccc(C(/C=C\CC)=C/C)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C65H50N4OS/c1-5-8-20-43(7-3)45-23-16-26-49(39-45)65(68-64(66)48-25-15-24-46(38-48)44-21-11-10-12-22-44)67-41-50-27-17-34-59-61(50)54-40-47(36-37-58(54)70-59)52-29-19-35-60-62(52)53-30-18-33-57(63(53)71-60)69-55(31-9-6-2)42(4)51-28-13-14-32-56(51)69/h6-41,66H,2,5H2,1,3-4H3/b20-8-,31-9-,43-7+,66-64+,67-41+,68-65+
InChIKeyPDZVEWUKVCUOJY-UHGDIORNSA-N
MW935.21 g/mol
LogP18.00
Rot. Bonds11

About 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

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 (PubChem CID 156643402) has the molecular formula C65H50N4OS and a molecular weight of 935.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[[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
PubChem CID156643402
Molecular FormulaC65H50N4OS
Molecular Weight935.21 g/mol
Exact Mass934.37
IUPAC NameN-[[[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
SMILES[H]/N=C(/N=C(/N=C/c1cccc2oc3ccc(-c4cccc5sc6c(-n7c(/C=C\C=C)c(C)c8ccccc87)cccc6c45)cc3c12)c1cccc(C(/C=C\CC)=C/C)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C65H50N4OS/c1-5-8-20-43(7-3)45-23-16-26-49(39-45)65(68-64(66)48-25-15-24-46(38-48)44-21-11-10-12-22-44)67-41-50-27-17-34-59-61(50)54-40-47(36-37-58(54)70-59)52-29-19-35-60-62(52)53-30-18-33-57(63(53)71-60)69-55(31-9-6-2)42(4)51-28-13-14-32-56(51)69/h6-41,66H,2,5H2,1,3-4H3/b20-8-,31-9-,43-7+,66-64+,67-41+,68-65+
InChIKeyPDZVEWUKVCUOJY-UHGDIORNSA-N
XLogP18.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.21
LogP ≤ 518.00
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'}

Analyze 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 with MolForge

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Related Compounds

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
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
N-[(3-dibenzothiophen-1-ylphenyl)-[(6-phenyldibenzofuran-3-yl)methylideneamino]methylidene]dibenzofuran-3-carboximidamide
CID 159572337
N-[[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]methylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 144955964
N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide
CID 176767129
12-[9-(3-phenylphenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 170688666
N'-(benzenecarboximidoyl)-3-(5-dibenzofuran-2-yltriphenylen-2-yl)-N-methylidenebenzenecarboximidamide
CID 145452775
9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158920444
N'-(benzenecarboximidoyl)-N-[(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)methylidene]dibenzothiophene-3-carboximidamide
CID 176853606
N-[(3-dibenzofuran-4-ylphenyl)methylidene]-N'-(3-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide
CID 176837498
[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
CID 156643036

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=C(/N=C(/N=C/c1cccc2oc3ccc(-c4cccc5sc6c(-n7c(/C=C\C=C)c(C)c8ccccc87)cccc6c45)cc3c12)c1cccc(C(/C=C\CC)=C/C)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is PDZVEWUKVCUOJY-UHGDIORNSA-N. The full InChI is InChI=1S/C65H50N4OS/c1-5-8-20-43(7-3)45-23-16-26-49(39-45)65(68-64(66)48-25-15-24-46(38-48)44-21-11-10-12-22-44)67-41-50-27-17-34-59-61(50)54-40-47(36-37-58(54)70-59)52-29-19-35-60-62(52)53-30-18-33-57(63(53)71-60)69-55(31-9-6-2)42(4)51-28-13-14-32-56(51)69/h6-41,66H,2,5H2,1,3-4H3/b20-8-,31-9-,43-7+,66-64+,67-41+,68-65+.
What are the key properties of 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?
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 has a molecular weight of 935.21 g/mol, XLogP of 18.00, 11 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]dibenzothiophen-1-yl]dibenzofuran-1-yl]methylideneamino]-[3-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]methylidene]-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 156643402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).