N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

C62H41FN2O — CID 121295913

IUPACN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1ccc(-c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc13
InChIInChI=1S/C62H41FN2O/c63-58-40-47(42-17-6-1-7-18-42)39-56(44-19-8-2-9-20-44)62(58)65(50-25-14-5-15-26-50)52-35-36-53-57-38-46-30-29-45(37-55(46)54-27-16-28-59(61(54)57)66-60(53)41-52)43-31-33-51(34-32-43)64(48-21-10-3-11-22-48)49-23-12-4-13-24-49/h1-41H
InChIKeyGWBOAYFHTSWJLO-UHFFFAOYSA-N
MW849.02 g/mol
LogP17.85
Rot. Bonds9

About N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (PubChem CID 121295913) has the molecular formula C62H41FN2O and a molecular weight of 849.02 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.

Molecular Properties

Compound NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
PubChem CID121295913
Molecular FormulaC62H41FN2O
Molecular Weight849.02 g/mol
Exact Mass848.32
IUPAC NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1ccc(-c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc13
InChIInChI=1S/C62H41FN2O/c63-58-40-47(42-17-6-1-7-18-42)39-56(44-19-8-2-9-20-44)62(58)65(50-25-14-5-15-26-50)52-35-36-53-57-38-46-30-29-45(37-55(46)54-27-16-28-59(61(54)57)66-60(53)41-52)43-31-33-51(34-32-43)64(48-21-10-3-11-22-48)49-23-12-4-13-24-49/h1-41H
InChIKeyGWBOAYFHTSWJLO-UHFFFAOYSA-N
XLogP17.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.02
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (CID 121295913) is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.
What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)Oc1cccc3c1c-2cc1ccc(-c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc13.
What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
The InChIKey is GWBOAYFHTSWJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41FN2O/c63-58-40-47(42-17-6-1-7-18-42)39-56(44-19-8-2-9-20-44)62(58)65(50-25-14-5-15-26-50)52-35-36-53-57-38-46-30-29-45(37-55(46)54-27-16-28-59(61(54)57)66-60(53)41-52)43-31-33-51(34-32-43)64(48-21-10-3-11-22-48)49-23-12-4-13-24-49/h1-41H.
What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine has a molecular weight of 849.02 g/mol, XLogP of 17.85, 9 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-16-[4-(N-phenylanilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is sourced from PubChem (CID 121295913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).