N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine

C58H33FN2O2 — CID 130381860

IUPACN-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine
SMILESFc1ccc(N(c2cccc3ccccc23)c2cccc3c2oc2cc4ccc5cc6c7ccccc7oc6c6c5c4c(c23)n6-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H33FN2O2/c59-39-27-29-40(30-28-39)60(48-22-9-14-35-12-2-4-18-44(35)48)49-23-10-21-46-54-51(63-57(46)49)33-38-26-25-37-32-47-45-19-5-6-24-50(45)62-58(47)56-53(37)52(38)55(54)61(56)41-16-7-15-36(31-41)43-20-8-13-34-11-1-3-17-42(34)43/h1-33H
InChIKeyZDLHHRAXJPCEDA-UHFFFAOYSA-N
MW808.91 g/mol
LogP16.76
Rot. Bonds5

About N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine

N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine (PubChem CID 130381860) has the molecular formula C58H33FN2O2 and a molecular weight of 808.91 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine
PubChem CID130381860
Molecular FormulaC58H33FN2O2
Molecular Weight808.91 g/mol
Exact Mass808.25
IUPAC NameN-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine
SMILESFc1ccc(N(c2cccc3ccccc23)c2cccc3c2oc2cc4ccc5cc6c7ccccc7oc6c6c5c4c(c23)n6-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H33FN2O2/c59-39-27-29-40(30-28-39)60(48-22-9-14-35-12-2-4-18-44(35)48)49-23-10-21-46-54-51(63-57(46)49)33-38-26-25-37-32-47-45-19-5-6-24-50(45)62-58(47)56-53(37)52(38)55(54)61(56)41-16-7-15-36(31-41)43-20-8-13-34-11-1-3-17-42(34)43/h1-33H
InChIKeyZDLHHRAXJPCEDA-UHFFFAOYSA-N
XLogP16.76
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.91
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine?
The IUPAC name of N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine (CID 130381860) is N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine is Fc1ccc(N(c2cccc3ccccc23)c2cccc3c2oc2cc4ccc5cc6c7ccccc7oc6c6c5c4c(c23)n6-c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine?
The InChIKey is ZDLHHRAXJPCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33FN2O2/c59-39-27-29-40(30-28-39)60(48-22-9-14-35-12-2-4-18-44(35)48)49-23-10-21-46-54-51(63-57(46)49)33-38-26-25-37-32-47-45-19-5-6-24-50(45)62-58(47)56-53(37)52(38)55(54)61(56)41-16-7-15-36(31-41)43-20-8-13-34-11-1-3-17-42(34)43/h1-33H.
What are the key properties of N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine?
N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine has a molecular weight of 808.91 g/mol, XLogP of 16.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-naphthalen-1-yl-29-(3-naphthalen-1-ylphenyl)-9,24-dioxa-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),18,20,22,26-tridecaen-7-amine is sourced from PubChem (CID 130381860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).