N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine

C160H95N3O6S3 — CID 165066151

IUPACN-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc4cc(-c5cccc6c5sc5ccccc56)ccc4c3)c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc4ccc(-c5cccc6c5sc5ccccc56)cc4c3)c3cccc4c(-c5cccc6c5oc5ccccc56)cccc34)ccc12
InChIInChI=1S/2C56H33NO2S.C48H29NO2S/c1-4-22-51-43(11-1)45-30-29-38(33-53(45)58-51)57(37-28-27-34-25-26-35(31-36(34)32-37)39-14-7-20-49-46-13-3-6-24-54(46)60-56(39)49)50-21-10-16-40-41(15-8-17-42(40)50)47-18-9-19-48-44-12-2-5-23-52(44)59-55(47)48;1-2-12-42-40(11-1)41(47-17-10-18-48-44-14-4-7-21-52(44)59-55(47)48)29-30-50(42)57(38-27-28-45-43-13-3-6-20-51(43)58-53(45)33-38)37-26-25-34-31-36(24-23-35(34)32-37)39-16-9-19-49-46-15-5-8-22-54(46)60-56(39)49;1-4-14-41-37(9-1)38-28-27-34(29-44(38)51-41)49(32-23-19-30(20-24-32)35-12-7-16-43-47(35)39-10-2-5-15-42(39)50-43)33-25-21-31(22-26-33)36-13-8-18-46-48(36)40-11-3-6-17-45(40)52-46/h2*1-33H;1-29H
InChIKeyRZOWYXCTXWHBNN-UHFFFAOYSA-N
MW2251.74 g/mol
LogP48.58
Rot. Bonds15

About N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine

N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 165066151) has the molecular formula C160H95N3O6S3 and a molecular weight of 2251.74 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID165066151
Molecular FormulaC160H95N3O6S3
Molecular Weight2251.74 g/mol
Exact Mass2249.64
IUPAC NameN-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc4cc(-c5cccc6c5sc5ccccc56)ccc4c3)c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc4ccc(-c5cccc6c5sc5ccccc56)cc4c3)c3cccc4c(-c5cccc6c5oc5ccccc56)cccc34)ccc12
InChIInChI=1S/2C56H33NO2S.C48H29NO2S/c1-4-22-51-43(11-1)45-30-29-38(33-53(45)58-51)57(37-28-27-34-25-26-35(31-36(34)32-37)39-14-7-20-49-46-13-3-6-24-54(46)60-56(39)49)50-21-10-16-40-41(15-8-17-42(40)50)47-18-9-19-48-44-12-2-5-23-52(44)59-55(47)48;1-2-12-42-40(11-1)41(47-17-10-18-48-44-14-4-7-21-52(44)59-55(47)48)29-30-50(42)57(38-27-28-45-43-13-3-6-20-51(43)58-53(45)33-38)37-26-25-34-31-36(24-23-35(34)32-37)39-16-9-19-49-46-15-5-8-22-54(46)60-56(39)49;1-4-14-41-37(9-1)38-28-27-34(29-44(38)51-41)49(32-23-19-30(20-24-32)35-12-7-16-43-47(35)39-10-2-5-15-42(39)50-43)33-25-21-31(22-26-33)36-13-8-18-46-48(36)40-11-3-6-17-45(40)52-46/h2*1-33H;1-29H
InChIKeyRZOWYXCTXWHBNN-UHFFFAOYSA-N
XLogP48.58
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.74
LogP ≤ 548.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

4-dibenzofuran-1-yl-N-[4-(4-dibenzofuran-1-ylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)aniline;4-dibenzofuran-1-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]aniline;4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline;4-(6-dibenzofuran-4-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 167691827
N-[4-(9,20-dioxapentacyclo[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]-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 164974665
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(4-naphthalen-1-ylphenyl)-N-[4-(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-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(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-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-1-(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-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(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-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 164954749
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 164950013
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
N-(4-dibenzofuran-4-ylphenyl)-N-(6-dibenzothiophen-4-ylphenanthren-3-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(7-dibenzothiophen-4-ylphenanthren-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzofuran-3-amine
CID 165090729
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767555
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324576
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine (CID 165066151) is N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine is c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc4cc(-c5cccc6c5sc5ccccc56)ccc4c3)c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)ccc12.c1ccc2c(c1)oc1cc(N(c3ccc4ccc(-c5cccc6c5sc5ccccc56)cc4c3)c3cccc4c(-c5cccc6c5oc5ccccc56)cccc34)ccc12.
What is the InChIKey of N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is RZOWYXCTXWHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H33NO2S.C48H29NO2S/c1-4-22-51-43(11-1)45-30-29-38(33-53(45)58-51)57(37-28-27-34-25-26-35(31-36(34)32-37)39-14-7-20-49-46-13-3-6-24-54(46)60-56(39)49)50-21-10-16-40-41(15-8-17-42(40)50)47-18-9-19-48-44-12-2-5-23-52(44)59-55(47)48;1-2-12-42-40(11-1)41(47-17-10-18-48-44-14-4-7-21-52(44)59-55(47)48)29-30-50(42)57(38-27-28-45-43-13-3-6-20-51(43)58-53(45)33-38)37-26-25-34-31-36(24-23-35(34)32-37)39-16-9-19-49-46-15-5-8-22-54(46)60-56(39)49;1-4-14-41-37(9-1)38-28-27-34(29-44(38)51-41)49(32-23-19-30(20-24-32)35-12-7-16-43-47(35)39-10-2-5-15-42(39)50-43)33-25-21-31(22-26-33)36-13-8-18-46-48(36)40-11-3-6-17-45(40)52-46/h2*1-33H;1-29H.
What are the key properties of N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine?
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 2251.74 g/mol, XLogP of 48.58, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(6-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(5-dibenzofuran-4-ylnaphthalen-1-yl)-N-(7-dibenzothiophen-4-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 165066151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).