N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine

C57H36N2O2 — CID 167166873

About N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine (PubChem CID 167166873) has the molecular formula C57H36N2O2 and a molecular weight of 780.93 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine
• PubChem CID: 167166873
• Molecular Formula: C57H36N2O2
• Molecular Weight: 780.93 g/mol
• Exact Mass: 780.28
• IUPAC Name: N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3cccc5c3n4-c3ccccc3-c3ccc4c(oc6ccccc64)c3-5)c3cccc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C57H36N2O2/c1-57(2)46-20-7-3-13-35(46)36-27-25-34(32-47(36)57)58(50-22-12-18-42-38-15-5-9-23-51(38)60-55(42)50)33-26-30-49-45(31-33)41-17-11-19-44-53-40(37-14-4-8-21-48(37)59(49)54(41)44)28-29-43-39-16-6-10-24-52(39)61-56(43)53/h3-32H,1-2H3
• InChIKey: JQNLMMRLGAGWOX-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.93
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine?

The IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine (CID 167166873) is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine?

The canonical SMILES for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3cccc5c3n4-c3ccccc3-c3ccc4c(oc6ccccc64)c3-5)c3cccc4c3oc3ccccc34)cc21.

What is the InChIKey of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine?

The InChIKey is JQNLMMRLGAGWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O2/c1-57(2)46-20-7-3-13-35(46)36-27-25-34(32-47(36)57)58(50-22-12-18-42-38-15-5-9-23-51(38)60-55(42)50)33-26-30-49-45(31-33)41-17-11-19-44-53-40(37-14-4-8-21-48(37)59(49)54(41)44)28-29-43-39-16-6-10-24-52(39)61-56(43)53/h3-32H,1-2H3.

What are the key properties of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine?

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine has a molecular weight of 780.93 g/mol, XLogP of 16.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine is sourced from PubChem (CID 167166873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).