N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide

C49H33N3O — CID 170283513

IUPACN'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1cccc2oc3cc(-n4c5ccccc5c5ccccc54)ccc3c12
InChIInChI=1S/C49H33N3O/c1-31(35-24-22-33-12-3-5-14-36(33)28-35)50-49(38-25-23-34-13-4-6-15-37(34)29-38)51-32(2)40-18-11-21-46-48(40)43-27-26-39(30-47(43)53-46)52-44-19-9-7-16-41(44)42-17-8-10-20-45(42)52/h3-30H,2H2,1H3/b50-31+,51-49-
InChIKeyMMDBPMXVRJNHOD-WKROCPAJSA-N
MW679.82 g/mol
LogP12.92
Rot. Bonds5

About N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide

N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide (PubChem CID 170283513) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide
PubChem CID170283513
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC NameN'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1cccc2oc3cc(-n4c5ccccc5c5ccccc54)ccc3c12
InChIInChI=1S/C49H33N3O/c1-31(35-24-22-33-12-3-5-14-36(33)28-35)50-49(38-25-23-34-13-4-6-15-37(34)29-38)51-32(2)40-18-11-21-46-48(40)43-27-26-39(30-47(43)53-46)52-44-19-9-7-16-41(44)42-17-8-10-20-45(42)52/h3-30H,2H2,1H3/b50-31+,51-49-
InChIKeyMMDBPMXVRJNHOD-WKROCPAJSA-N
XLogP12.92
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 146333965
3-(12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 167186375
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145007215
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
14-dibenzofuran-3-yl-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 170927828
4-naphthalen-2-yl-N'-[1-(6-naphthalen-1-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylprop-2-enylidene)benzenecarboximidamide
CID 170297602
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 170253940

Frequently Asked Questions

What is the IUPAC name of N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide?
The IUPAC name of N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide (CID 170283513) is N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide.
What is the SMILES notation for N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide?
The canonical SMILES for N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide is C=C(/N=C(\N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1cccc2oc3cc(-n4c5ccccc5c5ccccc54)ccc3c12.
What is the InChIKey of N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide?
The InChIKey is MMDBPMXVRJNHOD-WKROCPAJSA-N. The full InChI is InChI=1S/C49H33N3O/c1-31(35-24-22-33-12-3-5-14-36(33)28-35)50-49(38-25-23-34-13-4-6-15-37(34)29-38)51-32(2)40-18-11-21-46-48(40)43-27-26-39(30-47(43)53-46)52-44-19-9-7-16-41(44)42-17-8-10-20-45(42)52/h3-30H,2H2,1H3/b50-31+,51-49-.
What are the key properties of N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide?
N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide has a molecular weight of 679.82 g/mol, XLogP of 12.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide is sourced from PubChem (CID 170283513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).