N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide

C58H39N3O — CID 167403647

IUPACN-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/C=C/c1ccc2c(c1)oc1ccccc12)c1ccccc1)c1cc(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C58H39N3O/c59-58(60-52(43-23-11-4-12-24-43)33-30-39-29-32-48-47-26-14-16-28-55(47)62-56(48)35-39)45-37-49(41-19-7-2-8-20-41)57(50(38-45)42-21-9-3-10-22-42)61-53-27-15-13-25-46(53)51-36-44(31-34-54(51)61)40-17-5-1-6-18-40/h1-38,59H/b33-30+,59-58-,60-52+
InChIKeyUNRHKSRNAUUIEZ-IWONJHNYSA-N
MW793.97 g/mol
LogP15.21
Rot. Bonds8

About N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide

N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide (PubChem CID 167403647) has the molecular formula C58H39N3O and a molecular weight of 793.97 g/mol. Its IUPAC name is N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide
PubChem CID167403647
Molecular FormulaC58H39N3O
Molecular Weight793.97 g/mol
Exact Mass793.31
IUPAC NameN-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/C=C/c1ccc2c(c1)oc1ccccc12)c1ccccc1)c1cc(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C58H39N3O/c59-58(60-52(43-23-11-4-12-24-43)33-30-39-29-32-48-47-26-14-16-28-55(47)62-56(48)35-39)45-37-49(41-19-7-2-8-20-41)57(50(38-45)42-21-9-3-10-22-42)61-53-27-15-13-25-46(53)51-36-44(31-34-54(51)61)40-17-5-1-6-18-40/h1-38,59H/b33-30+,59-58-,60-52+
InChIKeyUNRHKSRNAUUIEZ-IWONJHNYSA-N
XLogP15.21
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 515.21
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

3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280367
4-(3-carbazol-9-ylcarbazol-9-yl)-N-[[(3,5-diphenylphenyl)methylideneamino]-phenylmethylidene]-3,5-diphenylbenzenecarboximidamide
CID 167401485
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
N-[(E)-3-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylprop-2-enylidene]benzenecarboximidamide
CID 137421136
9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280771
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide?
The IUPAC name of N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide (CID 167403647) is N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide.
What is the SMILES notation for N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide?
The canonical SMILES for N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide is [H]/N=C(\N=C(/C=C/c1ccc2c(c1)oc1ccccc12)c1ccccc1)c1cc(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c1.
What is the InChIKey of N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide?
The InChIKey is UNRHKSRNAUUIEZ-IWONJHNYSA-N. The full InChI is InChI=1S/C58H39N3O/c59-58(60-52(43-23-11-4-12-24-43)33-30-39-29-32-48-47-26-14-16-28-55(47)62-56(48)35-39)45-37-49(41-19-7-2-8-20-41)57(50(38-45)42-21-9-3-10-22-42)61-53-27-15-13-25-46(53)51-36-44(31-34-54(51)61)40-17-5-1-6-18-40/h1-38,59H/b33-30+,59-58-,60-52+.
What are the key properties of N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide?
N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide has a molecular weight of 793.97 g/mol, XLogP of 15.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide is sourced from PubChem (CID 167403647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).