5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine

C174H114N6O5 — CID 159844829

About 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine

5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine (PubChem CID 159844829) has the molecular formula C174H114N6O5 and a molecular weight of 2368.86 g/mol. Its IUPAC name is 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine.

Molecular Properties

• Compound Name: 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine
• PubChem CID: 159844829
• Molecular Formula: C174H114N6O5
• Molecular Weight: 2368.86 g/mol
• Exact Mass: 2366.89
• IUPAC Name: 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3ccc(N(c4ccccc4)c4ccccc4)cc35)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3ccc(N(c4ccccc4)c4ccccc4)cc35)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3cc4c5c(cccc5c3c2)Oc2cc(-c3ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc3)ccc2-4)cc1
• InChI: InChI=1S/C62H40N2O2.C56H36N2O2.C56H38N2O/c1-4-16-42(17-5-1)49-22-10-12-26-56(49)64(57-27-14-25-53-50-23-11-13-28-58(50)66-62(53)57)47-34-30-41(31-35-47)43-33-37-51-55-38-44-32-36-48(63(45-18-6-2-7-19-45)46-20-8-3-9-21-46)40-54(44)52-24-15-29-59(61(52)55)65-60(51)39-43;1-4-14-40(15-5-1)57(41-16-6-2-7-17-41)44-32-28-39-34-50-46-33-29-38(35-54(46)59-53-25-13-21-47(55(50)53)49(39)36-44)37-26-30-43(31-27-37)58(42-18-8-3-9-19-42)51-23-12-22-48-45-20-10-11-24-52(45)60-56(48)51;1-5-16-40(17-6-1)48-24-13-14-26-53(48)58(45-22-11-4-12-23-45)46-32-28-39(29-33-46)41-31-35-49-52-36-42-30-34-47(57(43-18-7-2-8-19-43)44-20-9-3-10-21-44)38-51(42)50-25-15-27-54(56(50)52)59-55(49)37-41/h1-40H;1-36H;1-38H
• InChIKey: NPDVZHWKPGDWSF-UHFFFAOYSA-N
• XLogP: 50.25
• TPSA: 73.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.86
LogP ≤ 5	50.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine?

The IUPAC name of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine (CID 159844829) is 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine.

What is the SMILES notation for 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine?

The canonical SMILES for 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3ccc(N(c4ccccc4)c4ccccc4)cc35)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3ccc(N(c4ccccc4)c4ccccc4)cc35)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3cc4c5c(cccc5c3c2)Oc2cc(-c3ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc3)ccc2-4)cc1.

What is the InChIKey of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine?

The InChIKey is NPDVZHWKPGDWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O2.C56H36N2O2.C56H38N2O/c1-4-16-42(17-5-1)49-22-10-12-26-56(49)64(57-27-14-25-53-50-23-11-13-28-58(50)66-62(53)57)47-34-30-41(31-35-47)43-33-37-51-55-38-44-32-36-48(63(45-18-6-2-7-19-45)46-20-8-3-9-21-46)40-54(44)52-24-15-29-59(61(52)55)65-60(51)39-43;1-4-14-40(15-5-1)57(41-16-6-2-7-17-41)44-32-28-39-34-50-46-33-29-38(35-54(46)59-53-25-13-21-47(55(50)53)49(39)36-44)37-26-30-43(31-27-37)58(42-18-8-3-9-19-42)51-23-12-22-48-45-20-10-11-24-52(45)60-56(48)51;1-5-16-40(17-6-1)48-24-13-14-26-53(48)58(45-22-11-4-12-23-45)46-32-28-39(29-33-46)41-31-35-49-52-36-42-30-34-47(57(43-18-7-2-8-19-43)44-20-9-3-10-21-44)38-51(42)50-25-15-27-54(56(50)52)59-55(49)37-41/h1-40H;1-36H;1-38H.

What are the key properties of 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine?

5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine has a molecular weight of 2368.86 g/mol, XLogP of 50.25, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-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-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-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-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)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-16-amine is sourced from PubChem (CID 159844829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).