N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine

C144H87N3O2S4 — CID 162022790

IUPACN-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3cccc4c3sc3ccccc34)c3cccc4c3sc3ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C48H29NO2.2C48H29NS2/c1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-24-21-30(27-44(39)38-16-6-5-14-36(34)38)49(31-22-25-42-40-17-7-9-19-45(40)50-47(42)28-31)32-23-26-43-41-18-8-10-20-46(41)51-48(43)29-32;1-2-14-32-31(13-1)33-15-3-4-17-35(33)37-28-27-30(29-42(37)36-18-6-5-16-34(32)36)49(43-23-11-21-40-38-19-7-9-25-45(38)50-47(40)43)44-24-12-22-41-39-20-8-10-26-46(39)51-48(41)44;1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-24-21-30(27-44(39)38-16-6-5-14-36(34)38)49(31-22-25-42-40-17-7-9-19-45(40)50-47(42)28-31)32-23-26-43-41-18-8-10-20-46(41)51-48(43)29-32/h3*1-29H/b35-33-,36-34-,39-37-,44-38-;33-31-,34-32-,37-35-,42-36-;35-33-,36-34-,39-37-,44-38-
InChIKeyYUYUBHMMVBLHQN-CDJMWCTNSA-N
MW2019.57 g/mol
LogP43.68
Rot. Bonds9

About N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine

N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine (PubChem CID 162022790) has the molecular formula C144H87N3O2S4 and a molecular weight of 2019.57 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine
PubChem CID162022790
Molecular FormulaC144H87N3O2S4
Molecular Weight2019.57 g/mol
Exact Mass2017.57
IUPAC NameN-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3cccc4c3sc3ccccc34)c3cccc4c3sc3ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C48H29NO2.2C48H29NS2/c1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-24-21-30(27-44(39)38-16-6-5-14-36(34)38)49(31-22-25-42-40-17-7-9-19-45(40)50-47(42)28-31)32-23-26-43-41-18-8-10-20-46(41)51-48(43)29-32;1-2-14-32-31(13-1)33-15-3-4-17-35(33)37-28-27-30(29-42(37)36-18-6-5-16-34(32)36)49(43-23-11-21-40-38-19-7-9-25-45(38)50-47(40)43)44-24-12-22-41-39-20-8-10-26-46(39)51-48(41)44;1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-24-21-30(27-44(39)38-16-6-5-14-36(34)38)49(31-22-25-42-40-17-7-9-19-45(40)50-47(42)28-31)32-23-26-43-41-18-8-10-20-46(41)51-48(43)29-32/h3*1-29H/b35-33-,36-34-,39-37-,44-38-;33-31-,34-32-,37-35-,42-36-;35-33-,36-34-,39-37-,44-38-
InChIKeyYUYUBHMMVBLHQN-CDJMWCTNSA-N
XLogP43.68
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002019.57
LogP ≤ 543.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 164799654
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-3-amine
CID 160729748
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-dibenzofuran-2-yl-N-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)dibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)dibenzofuran-3-amine
CID 161110805
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718857
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
CID 174291189
N-dibenzofuran-4-yl-N-dibenzothiophen-4-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzofuran-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzofuran-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164997940

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine (CID 162022790) is N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine is c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)sc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3cccc4c3sc3ccccc34)c3cccc4c3sc3ccccc34)cc1-c1ccccc1-2.
What is the InChIKey of N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine?
The InChIKey is YUYUBHMMVBLHQN-CDJMWCTNSA-N. The full InChI is InChI=1S/C48H29NO2.2C48H29NS2/c1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-24-21-30(27-44(39)38-16-6-5-14-36(34)38)49(31-22-25-42-40-17-7-9-19-45(40)50-47(42)28-31)32-23-26-43-41-18-8-10-20-46(41)51-48(43)29-32;1-2-14-32-31(13-1)33-15-3-4-17-35(33)37-28-27-30(29-42(37)36-18-6-5-16-34(32)36)49(43-23-11-21-40-38-19-7-9-25-45(38)50-47(40)43)44-24-12-22-41-39-20-8-10-26-46(39)51-48(41)44;1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-24-21-30(27-44(39)38-16-6-5-14-36(34)38)49(31-22-25-42-40-17-7-9-19-45(40)50-47(42)28-31)32-23-26-43-41-18-8-10-20-46(41)51-48(43)29-32/h3*1-29H/b35-33-,36-34-,39-37-,44-38-;33-31-,34-32-,37-35-,42-36-;35-33-,36-34-,39-37-,44-38-.
What are the key properties of N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine?
N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine has a molecular weight of 2019.57 g/mol, XLogP of 43.68, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine is sourced from PubChem (CID 162022790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).