19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine

C58H33FN2O2 — CID 155206515

IUPAC19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine
SMILESFc1cccc2c1-n1c3ccccc3c3cc(N(c4ccc5cc6oc7ccccc7c6cc5c4)c4ccc5oc6cc7ccccc7cc6c5c4)cc(c31)C(c1ccccc1)=C2
InChIInChI=1S/C58H33FN2O2/c59-51-18-10-15-38-27-45(34-11-2-1-3-12-34)50-33-42(32-49-43-16-6-8-19-52(43)61(57(38)51)58(49)50)60(40-22-21-37-30-55-46(28-39(37)25-40)44-17-7-9-20-53(44)62-55)41-23-24-54-48(31-41)47-26-35-13-4-5-14-36(35)29-56(47)63-54/h1-33H
InChIKeySLMRMHAIMKSQDV-UHFFFAOYSA-N
MW808.91 g/mol
LogP16.40
Rot. Bonds4

About 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine

19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine (PubChem CID 155206515) has the molecular formula C58H33FN2O2 and a molecular weight of 808.91 g/mol. Its IUPAC name is 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine.

Molecular Properties

Compound Name19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine
PubChem CID155206515
Molecular FormulaC58H33FN2O2
Molecular Weight808.91 g/mol
Exact Mass808.25
IUPAC Name19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine
SMILESFc1cccc2c1-n1c3ccccc3c3cc(N(c4ccc5cc6oc7ccccc7c6cc5c4)c4ccc5oc6cc7ccccc7cc6c5c4)cc(c31)C(c1ccccc1)=C2
InChIInChI=1S/C58H33FN2O2/c59-51-18-10-15-38-27-45(34-11-2-1-3-12-34)50-33-42(32-49-43-16-6-8-19-52(43)61(57(38)51)58(49)50)60(40-22-21-37-30-55-46(28-39(37)25-40)44-17-7-9-20-53(44)62-55)41-23-24-54-48(31-41)47-26-35-13-4-5-14-36(35)29-56(47)63-54/h1-33H
InChIKeySLMRMHAIMKSQDV-UHFFFAOYSA-N
XLogP16.40
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.91
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine?
The IUPAC name of 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine (CID 155206515) is 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine.
What is the SMILES notation for 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine?
The canonical SMILES for 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine is Fc1cccc2c1-n1c3ccccc3c3cc(N(c4ccc5cc6oc7ccccc7c6cc5c4)c4ccc5oc6cc7ccccc7cc6c5c4)cc(c31)C(c1ccccc1)=C2.
What is the InChIKey of 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine?
The InChIKey is SLMRMHAIMKSQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33FN2O2/c59-51-18-10-15-38-27-45(34-11-2-1-3-12-34)50-33-42(32-49-43-16-6-8-19-52(43)61(57(38)51)58(49)50)60(40-22-21-37-30-55-46(28-39(37)25-40)44-17-7-9-20-53(44)62-55)41-23-24-54-48(31-41)47-26-35-13-4-5-14-36(35)29-56(47)63-54/h1-33H.
What are the key properties of 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine?
19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine has a molecular weight of 808.91 g/mol, XLogP of 16.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-fluoro-N-naphtho[2,3-b][1]benzofuran-2-yl-N-naphtho[2,3-b][1]benzofuran-9-yl-13-phenyl-1-azapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,6,8(21),9,11,13,15(20),16,18-decaen-10-amine is sourced from PubChem (CID 155206515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).