11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C132H80N8O2S2 — CID 158991298

About 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 158991298) has the molecular formula C132H80N8O2S2 and a molecular weight of 1874.28 g/mol. Its IUPAC name is 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

• Compound Name: 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
• PubChem CID: 158991298
• Molecular Formula: C132H80N8O2S2
• Molecular Weight: 1874.28 g/mol
• Exact Mass: 1872.58
• IUPAC Name: 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
• SMILES: c1ccc(-c2nc(-c3ccc[nH]3)c3c(c2-c2ccc[nH]2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3ccco3)c3c(c2-c2ccco2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3cccs3)c3c(c2-c2cccs2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)c3c(c2-n2c4ccccc4c4ccccc42)-c2cccc4cccc-3c24)cc1
• InChI: InChI=1S/C45H27N3.C29H19N3.C29H17NO2.C29H17NS2/c1-2-14-29(15-3-1)43-44(47-36-24-8-4-18-30(36)31-19-5-9-25-37(31)47)41-34-22-12-16-28-17-13-23-35(40(28)34)42(41)45(46-43)48-38-26-10-6-20-32(38)33-21-7-11-27-39(33)48;1-2-8-19(9-3-1)28-27(22-14-6-16-30-22)25-20-12-4-10-18-11-5-13-21(24(18)20)26(25)29(32-28)23-15-7-17-31-23;2*1-2-8-19(9-3-1)28-27(22-14-6-16-31-22)25-20-12-4-10-18-11-5-13-21(24(18)20)26(25)29(30-28)23-15-7-17-32-23/h1-27H;1-17,30-31H;2*1-17H
• InChIKey: JQEQEKYLYCTRLZ-UHFFFAOYSA-N
• XLogP: 36.36
• TPSA: 119.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1874.28
LogP ≤ 5	36.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The IUPAC name of 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 158991298) is 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

What is the SMILES notation for 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The canonical SMILES for 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is c1ccc(-c2nc(-c3ccc[nH]3)c3c(c2-c2ccc[nH]2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3ccco3)c3c(c2-c2ccco2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-c3cccs3)c3c(c2-c2cccs2)-c2cccc4cccc-3c24)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)c3c(c2-n2c4ccccc4c4ccccc42)-c2cccc4cccc-3c24)cc1.

What is the InChIKey of 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The InChIKey is JQEQEKYLYCTRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3.C29H19N3.C29H17NO2.C29H17NS2/c1-2-14-29(15-3-1)43-44(47-36-24-8-4-18-30(36)31-19-5-9-25-37(31)47)41-34-22-12-16-28-17-13-23-35(40(28)34)42(41)45(46-43)48-38-26-10-6-20-32(38)33-21-7-11-27-39(33)48;1-2-8-19(9-3-1)28-27(22-14-6-16-30-22)25-20-12-4-10-18-11-5-13-21(24(18)20)26(25)29(32-28)23-15-7-17-31-23;2*1-2-8-19(9-3-1)28-27(22-14-6-16-31-22)25-20-12-4-10-18-11-5-13-21(24(18)20)26(25)29(30-28)23-15-7-17-32-23/h1-27H;1-17,30-31H;2*1-17H.

What are the key properties of 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene has a molecular weight of 1874.28 g/mol, XLogP of 36.36, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11,14-bis(furan-2-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;11,14-di(carbazol-9-yl)-13-phenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-bis(1H-pyrrol-2-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene;13-phenyl-11,14-dithiophen-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is sourced from PubChem (CID 158991298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).