14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine

C142H88N4O4 — CID 159842803

About 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine

14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (PubChem CID 159842803) has the molecular formula C142H88N4O4 and a molecular weight of 1914.29 g/mol. Its IUPAC name is 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.

Molecular Properties

• Compound Name: 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
• PubChem CID: 159842803
• Molecular Formula: C142H88N4O4
• Molecular Weight: 1914.29 g/mol
• Exact Mass: 1912.68
• IUPAC Name: 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4cc5c6cc(-c7ccc8oc9ccccc9c8c7)cc7c8cc9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc9cc8n(c5cc4c3)c67)cc21.c1ccc(N(c2ccc3cc4c5cc(-c6ccc7oc8ccccc8c7c6)cc6c7cc8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8cc7n(c4cc3c2)c56)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C74H43N3O3.C68H45NO/c1-3-15-50(16-4-1)75(64-24-13-22-57-54-19-7-11-27-69(54)79-73(57)64)52-32-29-44-37-59-62-40-49(46-31-34-71-61(39-46)56-21-9-10-26-68(56)78-71)41-63-60-38-45-30-33-53(36-48(45)43-67(60)77(72(62)63)66(59)42-47(44)35-52)76(51-17-5-2-6-18-51)65-25-14-23-58-55-20-8-12-28-70(55)80-74(58)65;1-67(2)58-14-8-5-11-48(58)50-24-21-43(34-60(50)67)38-17-19-40-29-53-56-32-47(42-23-26-65-55(31-42)52-13-7-10-16-64(52)70-65)33-57-54-30-41-20-18-39(28-46(41)37-63(54)69(66(56)57)62(53)36-45(40)27-38)44-22-25-51-49-12-6-9-15-59(49)68(3,4)61(51)35-44/h1-43H;5-37H,1-4H3
• InChIKey: NOWZNSSYTGTCJU-UHFFFAOYSA-N
• XLogP: 40.10
• TPSA: 67.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1914.29
LogP ≤ 5	40.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The IUPAC name of 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine (CID 159842803) is 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine.

What is the SMILES notation for 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The canonical SMILES for 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc5c6cc(-c7ccc8oc9ccccc9c8c7)cc7c8cc9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc9cc8n(c5cc4c3)c67)cc21.c1ccc(N(c2ccc3cc4c5cc(-c6ccc7oc8ccccc8c7c6)cc6c7cc8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8cc7n(c4cc3c2)c56)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

The InChIKey is NOWZNSSYTGTCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H43N3O3.C68H45NO/c1-3-15-50(16-4-1)75(64-24-13-22-57-54-19-7-11-27-69(54)79-73(57)64)52-32-29-44-37-59-62-40-49(46-31-34-71-61(39-46)56-21-9-10-26-68(56)78-71)41-63-60-38-45-30-33-53(36-48(45)43-67(60)77(72(62)63)66(59)42-47(44)35-52)76(51-17-5-2-6-18-51)65-25-14-23-58-55-20-8-12-28-70(55)80-74(58)65;1-67(2)58-14-8-5-11-48(58)50-24-21-43(34-60(50)67)38-17-19-40-29-53-56-32-47(42-23-26-65-55(31-42)52-13-7-10-16-64(52)70-65)33-57-54-30-41-20-18-39(28-46(41)37-63(54)69(66(56)57)62(53)36-45(40)27-38)44-22-25-51-49-12-6-9-15-59(49)68(3,4)61(51)35-44/h1-43H;5-37H,1-4H3.

What are the key properties of 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine?

14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine has a molecular weight of 1914.29 g/mol, XLogP of 40.10, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 14-dibenzofuran-2-yl-6,22-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine is sourced from PubChem (CID 159842803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).