N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide

C56H45N3O — CID 145018307

IUPACN'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide
SMILESCC(C)(C)c1cc2c(cc1-c1ccc3oc4ccccc4c3c1)c1cc(-c3ccc(C/C=C(\N=C(/N)c4ccccc4)c4ccccc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C56H45N3O/c1-56(2,3)49-36-52-47(35-45(49)42-29-32-54-48(34-42)44-21-13-14-22-53(44)60-54)46-33-41(28-31-51(46)59(52)43-19-11-6-12-20-43)38-26-23-37(24-27-38)25-30-50(39-15-7-4-8-16-39)58-55(57)40-17-9-5-10-18-40/h4-24,26-36H,25H2,1-3H3,(H2,57,58)/b50-30-
InChIKeyMASSIBFIBDMCCE-DBQHZJLUSA-N
MW776.00 g/mol
LogP14.30
Rot. Bonds8

About N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide

N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide (PubChem CID 145018307) has the molecular formula C56H45N3O and a molecular weight of 776.00 g/mol. Its IUPAC name is N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide
PubChem CID145018307
Molecular FormulaC56H45N3O
Molecular Weight776.00 g/mol
Exact Mass775.36
IUPAC NameN'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide
SMILESCC(C)(C)c1cc2c(cc1-c1ccc3oc4ccccc4c3c1)c1cc(-c3ccc(C/C=C(\N=C(/N)c4ccccc4)c4ccccc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C56H45N3O/c1-56(2,3)49-36-52-47(35-45(49)42-29-32-54-48(34-42)44-21-13-14-22-53(44)60-54)46-33-41(28-31-51(46)59(52)43-19-11-6-12-20-43)38-26-23-37(24-27-38)25-30-50(39-15-7-4-8-16-39)58-55(57)40-17-9-5-10-18-40/h4-24,26-36H,25H2,1-3H3,(H2,57,58)/b50-30-
InChIKeyMASSIBFIBDMCCE-DBQHZJLUSA-N
XLogP14.30
TPSA56.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 514.30
H-Bond Donors ≤ 51
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

N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane
CID 144680677
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide (CID 145018307) is N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide is CC(C)(C)c1cc2c(cc1-c1ccc3oc4ccccc4c3c1)c1cc(-c3ccc(C/C=C(\N=C(/N)c4ccccc4)c4ccccc4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide?
The InChIKey is MASSIBFIBDMCCE-DBQHZJLUSA-N. The full InChI is InChI=1S/C56H45N3O/c1-56(2,3)49-36-52-47(35-45(49)42-29-32-54-48(34-42)44-21-13-14-22-53(44)60-54)46-33-41(28-31-51(46)59(52)43-19-11-6-12-20-43)38-26-23-37(24-27-38)25-30-50(39-15-7-4-8-16-39)58-55(57)40-17-9-5-10-18-40/h4-24,26-36H,25H2,1-3H3,(H2,57,58)/b50-30-.
What are the key properties of N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide?
N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide has a molecular weight of 776.00 g/mol, XLogP of 14.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 145018307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).