18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

C196H120N6O9 — CID 160973623

About 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (PubChem CID 160973623) has the molecular formula C196H120N6O9 and a molecular weight of 2703.15 g/mol. Its IUPAC name is 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.

Molecular Properties

• Compound Name: 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
• PubChem CID: 160973623
• Molecular Formula: C196H120N6O9
• Molecular Weight: 2703.15 g/mol
• Exact Mass: 2700.91
• IUPAC Name: 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
• SMILES: C1=CC(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2c4ccc(N(c5ccc6ccccc6c5)c5cccc6c5oc5ccccc56)cc4c4ccccc4c32)=C2Oc3ccccc3C2C1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc5c43)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc2c(N(c3ccc4c(c3)oc3c5ccc(N(c6cccc7ccccc67)c6cccc7c6oc6ccccc67)cc5c5ccccc5c43)c3cccc4c3oc3ccccc34)cccc2c1
• InChI: InChI=1S/C68H42N2O3.C64H38N2O3.C64H40N2O3/c1-3-15-43(16-4-1)45-29-33-47(34-30-45)69(60-25-13-23-55-52-20-9-11-27-62(52)71-66(55)60)49-37-39-57-59(41-49)51-19-7-8-22-54(51)65-58-40-38-50(42-64(58)73-68(57)65)70(48-35-31-46(32-36-48)44-17-5-2-6-18-44)61-26-14-24-56-53-21-10-12-28-63(53)72-67(56)61;1-3-19-43-39(15-1)17-11-27-54(43)65(56-29-13-25-49-46-22-7-9-31-58(46)67-62(49)56)41-33-35-51-53(37-41)45-21-5-6-24-48(45)61-52-36-34-42(38-60(52)69-64(51)61)66(55-28-12-18-40-16-2-4-20-44(40)55)57-30-14-26-50-47-23-8-10-32-59(47)68-63(50)57;1-3-15-41-35-43(29-27-39(41)13-1)65(56-23-11-21-51-48-18-7-9-25-58(48)67-62(51)56)45-31-33-53-55(37-45)47-17-5-6-20-50(47)61-54-34-32-46(38-60(54)69-64(53)61)66(44-30-28-40-14-2-4-16-42(40)36-44)57-24-12-22-52-49-19-8-10-26-59(49)68-63(52)57/h1-42H;1-38H;1-21,23-38,52H,22H2
• InChIKey: SYOOZYWCDBKGEK-UHFFFAOYSA-N
• XLogP: 56.96
• TPSA: 133.79 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2703.15
LogP ≤ 5	56.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The IUPAC name of 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (CID 160973623) is 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.

What is the SMILES notation for 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The canonical SMILES for 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is C1=CC(N(c2ccc3ccccc3c2)c2ccc3c(c2)oc2c4ccc(N(c5ccc6ccccc6c5)c5cccc6c5oc5ccccc56)cc4c4ccccc4c32)=C2Oc3ccccc3C2C1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc5c43)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc2c(N(c3ccc4c(c3)oc3c5ccc(N(c6cccc7ccccc67)c6cccc7c6oc6ccccc67)cc5c5ccccc5c43)c3cccc4c3oc3ccccc34)cccc2c1.

What is the InChIKey of 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The InChIKey is SYOOZYWCDBKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2O3.C64H38N2O3.C64H40N2O3/c1-3-15-43(16-4-1)45-29-33-47(34-30-45)69(60-25-13-23-55-52-20-9-11-27-62(52)71-66(55)60)49-37-39-57-59(41-49)51-19-7-8-22-54(51)65-58-40-38-50(42-64(58)73-68(57)65)70(48-35-31-46(32-36-48)44-17-5-2-6-18-44)61-26-14-24-56-53-21-10-12-28-63(53)72-67(56)61;1-3-19-43-39(15-1)17-11-27-54(43)65(56-29-13-25-49-46-22-7-9-31-58(46)67-62(49)56)41-33-35-51-53(37-41)45-21-5-6-24-48(45)61-52-36-34-42(38-60(52)69-64(51)61)66(55-28-12-18-40-16-2-4-20-44(40)55)57-30-14-26-50-47-23-8-10-32-59(47)68-63(50)57;1-3-15-41-35-43(29-27-39(41)13-1)65(56-23-11-21-51-48-18-7-9-25-58(48)67-62(51)56)45-31-33-53-55(37-45)47-17-5-6-20-50(47)61-54-34-32-46(38-60(54)69-64(53)61)66(44-30-28-40-14-2-4-16-42(40)36-44)57-24-12-22-52-49-19-8-10-26-59(49)68-63(52)57/h1-42H;1-38H;1-21,23-38,52H,22H2.

What are the key properties of 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine has a molecular weight of 2703.15 g/mol, XLogP of 56.96, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 18-N-(1,9b-dihydrodibenzofuran-4-yl)-5-N-dibenzofuran-4-yl-5-N,18-N-dinaphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is sourced from PubChem (CID 160973623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).