9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline

C147H90N8O — CID 167630066

About 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline

9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline (PubChem CID 167630066) has the molecular formula C147H90N8O and a molecular weight of 1984.39 g/mol. Its IUPAC name is 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline
• PubChem CID: 167630066
• Molecular Formula: C147H90N8O
• Molecular Weight: 1984.39 g/mol
• Exact Mass: 1982.72
• IUPAC Name: 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-n4c5ccc(-c6ccccc6)c6c7cccc8ccc9ccc4c(c9c87)c65)c3)cc2)cc1.c1ccc(-c2ccc3c4c2c2cccc5ccc6ccc(c4c6c52)n3-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccc(-c5ccccc5)c5c6cccc7ccc8ccc3c(c8c76)c54)n2)cc1
• InChI: InChI=1S/2C50H32N2.C47H26N4O/c1-4-12-34(13-5-1)42-29-31-45-50-48(42)43-21-11-14-35-22-23-36-26-30-44(49(50)47(36)46(35)43)52(45)41-20-10-15-37(32-41)33-24-27-40(28-25-33)51(38-16-6-2-7-17-38)39-18-8-3-9-19-39;1-4-12-33(13-5-1)34-24-27-39(28-25-34)51(38-17-8-3-9-18-38)40-19-11-20-41(32-40)52-44-30-26-37-23-22-36-16-10-21-43-46(36)47(37)49(44)50-45(52)31-29-42(48(43)50)35-14-6-2-7-15-35;1-3-11-27(12-4-1)31-24-26-36-44-42(31)33-17-9-15-28-21-22-29-23-25-35(43(44)40(29)39(28)33)51(36)47-49-45(30-13-5-2-6-14-30)48-46(50-47)34-18-10-20-38-41(34)32-16-7-8-19-37(32)52-38/h2*1-32H;1-26H
• InChIKey: NQVSUFBDOGXYTJ-UHFFFAOYSA-N
• XLogP: 40.05
• TPSA: 73.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1984.39
LogP ≤ 5	40.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline?

The IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline (CID 167630066) is 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline?

The canonical SMILES for 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-n4c5ccc(-c6ccccc6)c6c7cccc8ccc9ccc4c(c9c87)c65)c3)cc2)cc1.c1ccc(-c2ccc3c4c2c2cccc5ccc6ccc(c4c6c52)n3-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccc(-c5ccccc5)c5c6cccc7ccc8ccc3c(c8c76)c54)n2)cc1.

What is the InChIKey of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline?

The InChIKey is NQVSUFBDOGXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N2.C47H26N4O/c1-4-12-34(13-5-1)42-29-31-45-50-48(42)43-21-11-14-35-22-23-36-26-30-44(49(50)47(36)46(35)43)52(45)41-20-10-15-37(32-41)33-24-27-40(28-25-33)51(38-16-6-2-7-17-38)39-18-8-3-9-19-39;1-4-12-33(13-5-1)34-24-27-39(28-25-34)51(38-17-8-3-9-18-38)40-19-11-20-41(32-40)52-44-30-26-37-23-22-36-16-10-21-43-46(36)47(37)49(44)50-45(52)31-29-42(48(43)50)35-14-6-2-7-15-35;1-3-11-27(12-4-1)31-24-26-36-44-42(31)33-17-9-15-28-21-22-29-23-25-35(43(44)40(29)39(28)33)51(36)47-49-45(30-13-5-2-6-14-30)48-46(50-47)34-18-10-20-38-41(34)32-16-7-8-19-37(32)52-38/h2*1-32H;1-26H.

What are the key properties of 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline?

9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 1984.39 g/mol, XLogP of 40.05, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene;N,N-diphenyl-4-[3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)phenyl]aniline;N-phenyl-3-(5-phenyl-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaen-9-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167630066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).