N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine

C52H35FN2O — CID 123771274

IUPACN-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine
SMILESCC(=C(C)c1ccc2c3c1ccc1cccc(c13)n2-c1ccccc1)c1ccc2c(c1)oc1cc(N(c3ccc4ccccc4c3)c3ccccc3F)ccc12
InChIInChI=1S/C52H35FN2O/c1-32(33(2)41-27-28-48-52-44(41)25-20-35-13-10-18-47(51(35)52)55(48)38-14-4-3-5-15-38)36-21-24-42-43-26-23-40(31-50(43)56-49(42)30-36)54(46-17-9-8-16-45(46)53)39-22-19-34-11-6-7-12-37(34)29-39/h3-31H,1-2H3
InChIKeyXQJAELRIAKTQTK-UHFFFAOYSA-N
MW722.86 g/mol
LogP14.99
Rot. Bonds6

About N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine

N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine (PubChem CID 123771274) has the molecular formula C52H35FN2O and a molecular weight of 722.86 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine
PubChem CID123771274
Molecular FormulaC52H35FN2O
Molecular Weight722.86 g/mol
Exact Mass722.27
IUPAC NameN-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine
SMILESCC(=C(C)c1ccc2c3c1ccc1cccc(c13)n2-c1ccccc1)c1ccc2c(c1)oc1cc(N(c3ccc4ccccc4c3)c3ccccc3F)ccc12
InChIInChI=1S/C52H35FN2O/c1-32(33(2)41-27-28-48-52-44(41)25-20-35-13-10-18-47(51(35)52)55(48)38-14-4-3-5-15-38)36-21-24-42-43-26-23-40(31-50(43)56-49(42)30-36)54(46-17-9-8-16-45(46)53)39-22-19-34-11-6-7-12-37(34)29-39/h3-31H,1-2H3
InChIKeyXQJAELRIAKTQTK-UHFFFAOYSA-N
XLogP14.99
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.86
LogP ≤ 514.99
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-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine?
The IUPAC name of N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine (CID 123771274) is N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine is CC(=C(C)c1ccc2c3c1ccc1cccc(c13)n2-c1ccccc1)c1ccc2c(c1)oc1cc(N(c3ccc4ccccc4c3)c3ccccc3F)ccc12.
What is the InChIKey of N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine?
The InChIKey is XQJAELRIAKTQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35FN2O/c1-32(33(2)41-27-28-48-52-44(41)25-20-35-13-10-18-47(51(35)52)55(48)38-14-4-3-5-15-38)36-21-24-42-43-26-23-40(31-50(43)56-49(42)30-36)54(46-17-9-8-16-45(46)53)39-22-19-34-11-6-7-12-37(34)29-39/h3-31H,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine?
N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine has a molecular weight of 722.86 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 123771274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).