N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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

C56H36N2O2 — CID 121295955

About N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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 121295955) has the molecular formula C56H36N2O2 and a molecular weight of 768.92 g/mol. Its IUPAC name is N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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 Name: N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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: 121295955
• Molecular Formula: C56H36N2O2
• Molecular Weight: 768.92 g/mol
• Exact Mass: 768.28
• IUPAC Name: N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2c-3cc2ccc(-c3ccc5c(c3)oc3cc(N(c6ccccc6)c6ccccc6)ccc35)cc24)cc1
• InChI: InChI=1S/C56H36N2O2/c1-5-14-40(15-6-1)57(41-16-7-2-8-17-41)44-27-30-47-46-29-26-38(34-53(46)60-54(47)35-44)37-24-25-39-33-51-48-31-28-45(58(42-18-9-3-10-19-42)43-20-11-4-12-21-43)36-55(48)59-52-23-13-22-49(56(51)52)50(39)32-37/h1-36H
• InChIKey: ZTASEQSETVOCDS-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.92
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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 121295955) is N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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 c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2c-3cc2ccc(-c3ccc5c(c3)oc3cc(N(c6ccccc6)c6ccccc6)ccc35)cc24)cc1.

What is the InChIKey of N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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 ZTASEQSETVOCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O2/c1-5-14-40(15-6-1)57(41-16-7-2-8-17-41)44-27-30-47-46-29-26-38(34-53(46)60-54(47)35-44)37-24-25-39-33-51-48-31-28-45(58(42-18-9-3-10-19-42)43-20-11-4-12-21-43)36-55(48)59-52-23-13-22-49(56(51)52)50(39)32-37/h1-36H.

What are the key properties of N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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 768.92 g/mol, XLogP of 16.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-16-[7-(N-phenylanilino)dibenzofuran-3-yl]-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 121295955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).