N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine

C184H106N4O7S6 — CID 165024092

About N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine

N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (PubChem CID 165024092) has the molecular formula C184H106N4O7S6 and a molecular weight of 2677.29 g/mol. Its IUPAC name is N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.

Molecular Properties

• Compound Name: N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
• PubChem CID: 165024092
• Molecular Formula: C184H106N4O7S6
• Molecular Weight: 2677.29 g/mol
• Exact Mass: 2674.64
• IUPAC Name: N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
• SMILES: c1cc(N(c2cccc3c2sc2ccccc23)c2cccc3c2sc2ccccc23)c2c(c1)oc1ccc3c4ccccc4sc3c12.c1ccc(-c2ccc(N(c3cccc4c3oc3c5ccccc5ccc43)c3cccc4oc5ccc6c7ccccc7sc6c5c34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc4oc5c6ccccc6ccc5c34)c3cccc4oc5ccc6c7ccccc7sc6c5c34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4c6ccccc6ccc54)c4cccc5oc6ccc7c8ccccc8sc7c6c45)cc3)cccc2c1
• InChI: InChI=1S/C50H29NO2S.2C46H27NO2S.C42H23NOS3/c1-3-12-35-30(9-1)11-7-15-36(35)32-19-22-33(23-20-32)51(34-24-26-38-40-25-21-31-10-2-4-13-37(31)49(40)53-45(38)29-34)42-16-8-17-43-47(42)48-44(52-43)28-27-41-39-14-5-6-18-46(39)54-50(41)48;1-2-10-28(11-3-1)29-20-23-31(24-21-29)47(36-15-8-17-38-42(36)35-25-22-30-12-4-5-13-32(30)45(35)49-38)37-16-9-18-39-43(37)44-40(48-39)27-26-34-33-14-6-7-19-41(33)50-46(34)44;1-2-10-28(11-3-1)29-20-23-31(24-21-29)47(38-17-8-15-34-35-25-22-30-12-4-5-13-32(30)44(35)49-45(34)38)37-16-9-18-39-42(37)43-40(48-39)27-26-36-33-14-6-7-19-41(33)50-46(36)43;1-4-19-35-24(10-1)27-13-7-16-31(40(27)45-35)43(32-17-8-14-28-25-11-2-5-20-36(25)46-41(28)32)30-15-9-18-33-38(30)39-34(44-33)23-22-29-26-12-3-6-21-37(26)47-42(29)39/h1-29H;2*1-27H;1-23H
• InChIKey: LPNARSIMZWTCDJ-UHFFFAOYSA-N
• XLogP: 57.74
• TPSA: 104.94 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2677.29
LogP ≤ 5	57.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?

The IUPAC name of N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (CID 165024092) is N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.

What is the SMILES notation for N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?

The canonical SMILES for N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is c1cc(N(c2cccc3c2sc2ccccc23)c2cccc3c2sc2ccccc23)c2c(c1)oc1ccc3c4ccccc4sc3c12.c1ccc(-c2ccc(N(c3cccc4c3oc3c5ccccc5ccc43)c3cccc4oc5ccc6c7ccccc7sc6c5c34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc4oc5c6ccccc6ccc5c34)c3cccc4oc5ccc6c7ccccc7sc6c5c34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4c6ccccc6ccc54)c4cccc5oc6ccc7c8ccccc8sc7c6c45)cc3)cccc2c1.

What is the InChIKey of N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?

The InChIKey is LPNARSIMZWTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO2S.2C46H27NO2S.C42H23NOS3/c1-3-12-35-30(9-1)11-7-15-36(35)32-19-22-33(23-20-32)51(34-24-26-38-40-25-21-31-10-2-4-13-37(31)49(40)53-45(38)29-34)42-16-8-17-43-47(42)48-44(52-43)28-27-41-39-14-5-6-18-46(39)54-50(41)48;1-2-10-28(11-3-1)29-20-23-31(24-21-29)47(36-15-8-17-38-42(36)35-25-22-30-12-4-5-13-32(30)45(35)49-38)37-16-9-18-39-43(37)44-40(48-39)27-26-34-33-14-6-7-19-41(33)50-46(34)44;1-2-10-28(11-3-1)29-20-23-31(24-21-29)47(38-17-8-15-34-35-25-22-30-12-4-5-13-32(30)44(35)49-45(34)38)37-16-9-18-39-42(37)43-40(48-39)27-26-36-33-14-6-7-19-41(33)50-46(36)43;1-4-19-35-24(10-1)27-13-7-16-31(40(27)45-35)43(32-17-8-14-28-25-11-2-5-20-36(25)46-41(28)32)30-15-9-18-33-38(30)39-34(44-33)23-22-29-26-12-3-6-21-37(26)47-42(29)39/h1-29H;2*1-27H;1-23H.

What are the key properties of N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?

N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine has a molecular weight of 2677.29 g/mol, XLogP of 57.74, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is sourced from PubChem (CID 165024092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).