N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine

C192H108N4O11S5 — CID 164954908

About N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine

N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine (PubChem CID 164954908) has the molecular formula C192H108N4O11S5 and a molecular weight of 2807.33 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine
• PubChem CID: 164954908
• Molecular Formula: C192H108N4O11S5
• Molecular Weight: 2807.33 g/mol
• Exact Mass: 2804.66
• IUPAC Name: N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine
• SMILES: c1ccc2c(c1)oc1c(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3cccc4c3oc3ccccc34)cccc12.c1ccc2c(c1)oc1c(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3cccc4c3sc3ccccc34)cccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3cccc4oc5ccccc5c34)ccc12
• InChI: InChI=1S/3C48H27NO3S.C48H27NO2S2/c1-4-18-39-31(10-1)34-14-7-16-37(46(34)50-39)49(38-17-8-15-35-32-11-2-5-19-40(32)51-47(35)38)29-24-22-28(23-25-29)30-13-9-21-42-44(30)45-43(53-42)27-26-36-33-12-3-6-20-41(33)52-48(36)45;1-4-14-38-32(9-1)34-24-23-30(27-42(34)51-38)49(37-13-8-17-41-45(37)36-11-3-6-16-40(36)50-41)29-21-19-28(20-22-29)31-12-7-18-43-46(31)47-44(53-43)26-25-35-33-10-2-5-15-39(33)52-48(35)47;1-4-12-39-33(8-1)36-22-20-30(26-42(36)50-39)49(31-21-23-37-34-9-2-5-13-40(34)51-43(37)27-31)29-18-16-28(17-19-29)32-11-7-15-44-46(32)47-45(53-44)25-24-38-35-10-3-6-14-41(35)52-48(38)47;1-4-18-39-31(10-1)34-14-7-16-37(46(34)50-39)49(38-17-8-15-36-33-12-3-6-20-41(33)53-48(36)38)29-24-22-28(23-25-29)30-13-9-21-42-44(30)45-43(52-42)27-26-35-32-11-2-5-19-40(32)51-47(35)45/h4*1-27H
• InChIKey: BAVDPNIACITKFD-UHFFFAOYSA-N
• XLogP: 60.03
• TPSA: 157.50 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.33
LogP ≤ 5	60.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine (CID 164954908) is N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine.

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

The canonical SMILES for N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine is c1ccc2c(c1)oc1c(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3cccc4c3oc3ccccc34)cccc12.c1ccc2c(c1)oc1c(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3cccc4c3sc3ccccc34)cccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)cc3)c3cccc4oc5ccccc5c34)ccc12.

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

The InChIKey is BAVDPNIACITKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H27NO3S.C48H27NO2S2/c1-4-18-39-31(10-1)34-14-7-16-37(46(34)50-39)49(38-17-8-15-35-32-11-2-5-19-40(32)51-47(35)38)29-24-22-28(23-25-29)30-13-9-21-42-44(30)45-43(53-42)27-26-36-33-12-3-6-20-41(33)52-48(36)45;1-4-14-38-32(9-1)34-24-23-30(27-42(34)51-38)49(37-13-8-17-41-45(37)36-11-3-6-16-40(36)50-41)29-21-19-28(20-22-29)31-12-7-18-43-46(31)47-44(53-43)26-25-35-33-10-2-5-15-39(33)52-48(35)47;1-4-12-39-33(8-1)36-22-20-30(26-42(36)50-39)49(31-21-23-37-34-9-2-5-13-40(34)51-43(37)27-31)29-18-16-28(17-19-29)32-11-7-15-44-46(32)47-45(53-44)25-24-38-35-10-3-6-14-41(35)52-48(38)47;1-4-18-39-31(10-1)34-14-7-16-37(46(34)50-39)49(38-17-8-15-36-33-12-3-6-20-41(33)53-48(36)38)29-24-22-28(23-25-29)30-13-9-21-42-44(30)45-43(52-42)27-26-35-32-11-2-5-19-40(32)51-47(35)45/h4*1-27H.

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

N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 2807.33 g/mol, XLogP of 60.03, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 164954908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).