N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide

C47H33N3O2 — CID 170134304

IUPACN-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1cccc2oc3c#cccc3c12)c1ccc2c3c(n(-c4ccccc4)c2c1)C=CCC3)c1ccc2c3c(oc2c1)CCC=C3
InChIInChI=1S/C47H33N3O2/c1-29(31-23-26-38-37-16-7-10-20-42(37)52-45(38)28-31)48-47(49-30(2)34-18-12-22-44-46(34)39-17-8-11-21-43(39)51-44)32-24-25-36-35-15-6-9-19-40(35)50(41(36)27-32)33-13-4-3-5-14-33/h3-5,7-9,12-14,16-19,22-28H,1,6,10,15,20H2,2H3/b48-47-,49-30+
InChIKeyLKZJWLDWQXGOQU-LFXFBQCJSA-N
MW671.80 g/mol
LogP11.72
Rot. Bonds5

About N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide

N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide (PubChem CID 170134304) has the molecular formula C47H33N3O2 and a molecular weight of 671.80 g/mol. Its IUPAC name is N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide.

Molecular Properties

Compound NameN-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide
PubChem CID170134304
Molecular FormulaC47H33N3O2
Molecular Weight671.80 g/mol
Exact Mass671.26
IUPAC NameN-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1cccc2oc3c#cccc3c12)c1ccc2c3c(n(-c4ccccc4)c2c1)C=CCC3)c1ccc2c3c(oc2c1)CCC=C3
InChIInChI=1S/C47H33N3O2/c1-29(31-23-26-38-37-16-7-10-20-42(37)52-45(38)28-31)48-47(49-30(2)34-18-12-22-44-46(34)39-17-8-11-21-43(39)51-44)32-24-25-36-35-15-6-9-19-40(35)50(41(36)27-32)33-13-4-3-5-14-33/h3-5,7-9,12-14,16-19,22-28H,1,6,10,15,20H2,2H3/b48-47-,49-30+
InChIKeyLKZJWLDWQXGOQU-LFXFBQCJSA-N
XLogP11.72
TPSA55.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.80
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide
CID 170283513
9-(3-triphenylen-2-ylphenyl)-7,8-didehydro-3,4-dihydrocarbazole
CID 129260500
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
N-(6,7-dihydrodibenzofuran-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 131997661
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
N-[(E)-[7-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylidene-1-benzofuran-2-ylidene]-(4-methylphenyl)methyl]-1-phenylethanimine
CID 142551379
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145007215
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide?
The IUPAC name of N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide (CID 170134304) is N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide.
What is the SMILES notation for N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide?
The canonical SMILES for N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide is C=C(/N=C(\N=C(/C)c1cccc2oc3c#cccc3c12)c1ccc2c3c(n(-c4ccccc4)c2c1)C=CCC3)c1ccc2c3c(oc2c1)CCC=C3.
What is the InChIKey of N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide?
The InChIKey is LKZJWLDWQXGOQU-LFXFBQCJSA-N. The full InChI is InChI=1S/C47H33N3O2/c1-29(31-23-26-38-37-16-7-10-20-42(37)52-45(38)28-31)48-47(49-30(2)34-18-12-22-44-46(34)39-17-8-11-21-43(39)51-44)32-24-25-36-35-15-6-9-19-40(35)50(41(36)27-32)33-13-4-3-5-14-33/h3-5,7-9,12-14,16-19,22-28H,1,6,10,15,20H2,2H3/b48-47-,49-30+.
What are the key properties of N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide?
N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide has a molecular weight of 671.80 g/mol, XLogP of 11.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-didehydrodibenzofuran-1-yl)ethylidene]-N'-[1-(6,7-dihydrodibenzofuran-3-yl)ethenyl]-9-phenyl-5,6-dihydrocarbazole-2-carboximidamide is sourced from PubChem (CID 170134304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).