N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine

C116H70N2O3S3 — CID 165076056

About N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 165076056) has the molecular formula C116H70N2O3S3 and a molecular weight of 1636.05 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine
• PubChem CID: 165076056
• Molecular Formula: C116H70N2O3S3
• Molecular Weight: 1636.05 g/mol
• Exact Mass: 1634.45
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)c4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5ccc(-c6cccc7sc8ccc9c%10ccccc%10oc9c8c67)cc5c4c3)cc2)cc1
• InChI: InChI=1S/C58H35NO2S.C58H35NOS2/c1-2-12-36(13-3-1)37-24-28-40(29-25-37)59(41-30-26-39(27-31-41)43-19-10-15-38-14-4-5-16-42(38)43)49-34-32-46(54-48-18-7-9-22-51(48)61-58(49)54)45-20-11-23-52-55(45)56-53(62-52)35-33-47-44-17-6-8-21-50(44)60-57(47)56;1-2-10-36(11-3-1)37-20-25-41(26-21-37)59(42-27-22-39(23-28-42)45-16-8-13-38-12-4-5-14-44(38)45)43-29-32-53-50(35-43)49-34-40(24-31-52(49)61-53)46-17-9-19-54-56(46)57-55(62-54)33-30-48-47-15-6-7-18-51(47)60-58(48)57/h2*1-35H
• InChIKey: UIALSAFIJSMRLL-UHFFFAOYSA-N
• XLogP: 35.42
• TPSA: 45.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1636.05
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 165076056) is N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5sc6ccc7c8ccccc8oc7c6c45)c4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4sc5ccc(-c6cccc7sc8ccc9c%10ccccc%10oc9c8c67)cc5c4c3)cc2)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine?

The InChIKey is UIALSAFIJSMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO2S.C58H35NOS2/c1-2-12-36(13-3-1)37-24-28-40(29-25-37)59(41-30-26-39(27-31-41)43-19-10-15-38-14-4-5-16-42(38)43)49-34-32-46(54-48-18-7-9-22-51(48)61-58(49)54)45-20-11-23-52-55(45)56-53(62-52)35-33-47-44-17-6-8-21-50(44)60-57(47)56;1-2-10-36(11-3-1)37-20-25-41(26-21-37)59(42-27-22-39(23-28-42)45-16-8-13-38-12-4-5-14-44(38)45)43-29-32-53-50(35-43)49-34-40(24-31-52(49)61-53)46-17-9-19-54-56(46)57-55(62-54)33-30-48-47-15-6-7-18-51(47)60-58(48)57/h2*1-35H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine?

N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 1636.05 g/mol, XLogP of 35.42, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-1-(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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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)-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 165076056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).