N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C145H90N6O4S — CID 161465299

About N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 161465299) has the molecular formula C145H90N6O4S and a molecular weight of 2012.42 g/mol. Its IUPAC name is N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
• PubChem CID: 161465299
• Molecular Formula: C145H90N6O4S
• Molecular Weight: 2012.42 g/mol
• Exact Mass: 2010.67
• IUPAC Name: N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3cccc4c3sc3ccccc34)cc2)cc1
• InChI: InChI=1S/C49H30N2O2.C49H30N2OS.C47H30N2O/c1-2-11-31(12-3-1)32-21-25-34(26-22-32)51(43-18-10-16-38-36-13-5-8-19-44(36)52-48(38)43)35-27-23-33(24-28-35)47-41-30-29-39-37-14-6-9-20-45(37)53-49(39)46(41)40-15-4-7-17-42(40)50-47;1-2-11-31(12-3-1)32-21-25-34(26-22-32)51(43-18-10-16-39-37-14-6-9-20-45(37)53-49(39)43)35-27-23-33(24-28-35)47-41-30-29-38-36-13-5-8-19-44(36)52-48(38)46(41)40-15-4-7-17-42(40)50-47;1-2-10-31(11-3-1)33-18-23-36(24-19-33)49(38-27-20-32-12-4-5-13-35(32)30-38)37-25-21-34(22-26-37)46-42-29-28-40-39-14-7-9-17-44(39)50-47(40)45(42)41-15-6-8-16-43(41)48-46/h2*1-30H;1-30H
• InChIKey: WCIRKOZAMALQJM-UHFFFAOYSA-N
• XLogP: 41.69
• TPSA: 100.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.42
LogP ≤ 5	41.69
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 N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?

The IUPAC name of N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 161465299) is N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

What is the SMILES notation for N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?

The canonical SMILES for N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3cccc4c3sc3ccccc34)cc2)cc1.

What is the InChIKey of N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?

The InChIKey is WCIRKOZAMALQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2.C49H30N2OS.C47H30N2O/c1-2-11-31(12-3-1)32-21-25-34(26-22-32)51(43-18-10-16-38-36-13-5-8-19-44(36)52-48(38)43)35-27-23-33(24-28-35)47-41-30-29-39-37-14-6-9-20-45(37)53-49(39)46(41)40-15-4-7-17-42(40)50-47;1-2-11-31(12-3-1)32-21-25-34(26-22-32)51(43-18-10-16-39-37-14-6-9-20-45(37)53-49(39)43)35-27-23-33(24-28-35)47-41-30-29-38-36-13-5-8-19-44(36)52-48(38)46(41)40-15-4-7-17-42(40)50-47;1-2-10-31(11-3-1)33-18-23-36(24-19-33)49(38-27-20-32-12-4-5-13-35(32)30-38)37-25-21-34(22-26-37)46-42-29-28-40-39-14-7-9-17-44(39)50-47(40)45(42)41-15-6-8-16-43(41)48-46/h2*1-30H;1-30H.

What are the key properties of N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?

N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 2012.42 g/mol, XLogP of 41.69, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 161465299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).