11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

C78H51NO4 — CID 142560117

About 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 142560117) has the molecular formula C78H51NO4 and a molecular weight of 1066.27 g/mol. Its IUPAC name is 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

• Compound Name: 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• PubChem CID: 142560117
• Molecular Formula: C78H51NO4
• Molecular Weight: 1066.27 g/mol
• Exact Mass: 1065.38
• IUPAC Name: 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
• SMILES: CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c5c3-4)c3ccccc3-c3ccccc3)ccc2-c2c1cc(-c1cccc3oc4ccccc4c13)c1oc3ccccc3c21
• InChI: InChI=1S/C78H51NO4/c1-77(2)58-40-45(36-38-50(58)71-60(77)42-56(75-73(71)54-25-11-16-32-65(54)82-75)48-27-18-34-67-69(48)52-23-9-14-30-63(52)80-67)79(62-29-13-8-22-47(62)44-20-6-5-7-21-44)46-37-39-51-59(41-46)78(3,4)61-43-57(76-74(72(51)61)55-26-12-17-33-66(55)83-76)49-28-19-35-68-70(49)53-24-10-15-31-64(53)81-68/h5-43H,1-4H3
• InChIKey: VEOAQYCQSHKHGN-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 55.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.27
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The IUPAC name of 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 142560117) is 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

What is the SMILES notation for 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The canonical SMILES for 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c5c3-4)c3ccccc3-c3ccccc3)ccc2-c2c1cc(-c1cccc3oc4ccccc4c13)c1oc3ccccc3c21.

What is the InChIKey of 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The InChIKey is VEOAQYCQSHKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51NO4/c1-77(2)58-40-45(36-38-50(58)71-60(77)42-56(75-73(71)54-25-11-16-32-65(54)82-75)48-27-18-34-67-69(48)52-23-9-14-30-63(52)80-67)79(62-29-13-8-22-47(62)44-20-6-5-7-21-44)46-37-39-51-59(41-46)78(3,4)61-43-57(76-74(72(51)61)55-26-12-17-33-66(55)83-76)49-28-19-35-68-70(49)53-24-10-15-31-64(53)81-68/h5-43H,1-4H3.

What are the key properties of 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 1066.27 g/mol, XLogP of 22.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 142560117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).