N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine

C58H37FN2O — CID 90363935

IUPACN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)oc1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc12
InChIInChI=1S/C58H37FN2O/c59-51-36-44(40-14-5-1-6-15-40)35-50(41-16-7-2-8-17-41)58(51)60(45-19-9-3-10-20-45)47-29-31-49-48-30-26-38(34-54(48)62-55(49)37-47)24-25-39-32-43-28-27-42-18-13-23-52-56(42)57(43)53(33-39)61(52)46-21-11-4-12-22-46/h1-37H/b25-24+
InChIKeyNFMAZXAUFVKPOD-OCOZRVBESA-N
MW796.95 g/mol
LogP16.39
Rot. Bonds8

About N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine (PubChem CID 90363935) has the molecular formula C58H37FN2O and a molecular weight of 796.95 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine
PubChem CID90363935
Molecular FormulaC58H37FN2O
Molecular Weight796.95 g/mol
Exact Mass796.29
IUPAC NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)oc1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc12
InChIInChI=1S/C58H37FN2O/c59-51-36-44(40-14-5-1-6-15-40)35-50(41-16-7-2-8-17-41)58(51)60(45-19-9-3-10-20-45)47-29-31-49-48-30-26-38(34-54(48)62-55(49)37-47)24-25-39-32-43-28-27-42-18-13-23-52-56(42)57(43)53(33-39)61(52)46-21-11-4-12-22-46/h1-37H/b25-24+
InChIKeyNFMAZXAUFVKPOD-OCOZRVBESA-N
XLogP16.39
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.95
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine (CID 90363935) is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)oc1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc12.
What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
The InChIKey is NFMAZXAUFVKPOD-OCOZRVBESA-N. The full InChI is InChI=1S/C58H37FN2O/c59-51-36-44(40-14-5-1-6-15-40)35-50(41-16-7-2-8-17-41)58(51)60(45-19-9-3-10-20-45)47-29-31-49-48-30-26-38(34-54(48)62-55(49)37-47)24-25-39-32-43-28-27-42-18-13-23-52-56(42)57(43)53(33-39)61(52)46-21-11-4-12-22-46/h1-37H/b25-24+.
What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine?
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine has a molecular weight of 796.95 g/mol, XLogP of 16.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine is sourced from PubChem (CID 90363935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).