2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran

C144H84O6S3 — CID 165009748

IUPAC2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran
SMILESc1ccc2c(c1)oc1cc(-c3ccc(-c4cccc5oc6cccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6c45)cc3)ccc12.c1ccc2c(c1)oc1cccc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9oc%10ccccc%10c89)cc7)cc6c5c4)cc3)c12.c1ccc2c(c1)sc1c(-c3ccc(-c4cccc5sc6cccc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)c6c45)cc3)cccc12
InChIInChI=1S/2C48H28O3.C48H28S3/c1-3-14-41-37(8-1)39-27-26-33(28-45(39)49-41)29-18-20-30(21-19-29)34-10-6-16-43-46(34)47-35(11-7-17-44(47)50-43)31-22-24-32(25-23-31)36-12-5-13-40-38-9-2-4-15-42(38)51-48(36)40;1-3-11-41-37(7-1)47-35(9-5-13-45(47)50-41)31-19-15-29(16-20-31)33-23-25-43-39(27-33)40-28-34(24-26-44(40)49-43)30-17-21-32(22-18-30)36-10-6-14-46-48(36)38-8-2-4-12-42(38)51-46;1-3-17-41-37(9-1)39-15-5-13-35(47(39)50-41)31-25-21-29(22-26-31)33-11-7-19-43-45(33)46-34(12-8-20-44(46)49-43)30-23-27-32(28-24-30)36-14-6-16-40-38-10-2-4-18-42(38)51-48(36)40/h3*1-28H
InChIKeyJNDRWJFHRUBJMZ-UHFFFAOYSA-N
MW2006.45 g/mol
LogP43.56
Rot. Bonds12

About 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran

2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran (PubChem CID 165009748) has the molecular formula C144H84O6S3 and a molecular weight of 2006.45 g/mol. Its IUPAC name is 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran
PubChem CID165009748
Molecular FormulaC144H84O6S3
Molecular Weight2006.45 g/mol
Exact Mass2004.54
IUPAC Name2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran
SMILESc1ccc2c(c1)oc1cc(-c3ccc(-c4cccc5oc6cccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6c45)cc3)ccc12.c1ccc2c(c1)oc1cccc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9oc%10ccccc%10c89)cc7)cc6c5c4)cc3)c12.c1ccc2c(c1)sc1c(-c3ccc(-c4cccc5sc6cccc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)c6c45)cc3)cccc12
InChIInChI=1S/2C48H28O3.C48H28S3/c1-3-14-41-37(8-1)39-27-26-33(28-45(39)49-41)29-18-20-30(21-19-29)34-10-6-16-43-46(34)47-35(11-7-17-44(47)50-43)31-22-24-32(25-23-31)36-12-5-13-40-38-9-2-4-15-42(38)51-48(36)40;1-3-11-41-37(7-1)47-35(9-5-13-45(47)50-41)31-19-15-29(16-20-31)33-23-25-43-39(27-33)40-28-34(24-26-44(40)49-43)30-17-21-32(22-18-30)36-10-6-14-46-48(36)38-8-2-4-12-42(38)51-46;1-3-17-41-37(9-1)39-15-5-13-35(47(39)50-41)31-25-21-29(22-26-31)33-11-7-19-43-45(33)46-34(12-8-20-44(46)49-43)30-23-27-32(28-24-30)36-14-6-16-40-38-10-2-4-18-42(38)51-48(36)40/h3*1-28H
InChIKeyJNDRWJFHRUBJMZ-UHFFFAOYSA-N
XLogP43.56
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002006.45
LogP ≤ 543.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran with MolForge

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Related Compounds

4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran
CID 137466636
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164975390
4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
CID 158113882
N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline
CID 167213699
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 159607952
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 163712532
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
1-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
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

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran?
The IUPAC name of 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran (CID 165009748) is 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran.
What is the SMILES notation for 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran?
The canonical SMILES for 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran is c1ccc2c(c1)oc1cc(-c3ccc(-c4cccc5oc6cccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6c45)cc3)ccc12.c1ccc2c(c1)oc1cccc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9oc%10ccccc%10c89)cc7)cc6c5c4)cc3)c12.c1ccc2c(c1)sc1c(-c3ccc(-c4cccc5sc6cccc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)c6c45)cc3)cccc12.
What is the InChIKey of 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran?
The InChIKey is JNDRWJFHRUBJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H28O3.C48H28S3/c1-3-14-41-37(8-1)39-27-26-33(28-45(39)49-41)29-18-20-30(21-19-29)34-10-6-16-43-46(34)47-35(11-7-17-44(47)50-43)31-22-24-32(25-23-31)36-12-5-13-40-38-9-2-4-15-42(38)51-48(36)40;1-3-11-41-37(7-1)47-35(9-5-13-45(47)50-41)31-19-15-29(16-20-31)33-23-25-43-39(27-33)40-28-34(24-26-44(40)49-43)30-17-21-32(22-18-30)36-10-6-14-46-48(36)38-8-2-4-12-42(38)51-46;1-3-17-41-37(9-1)39-15-5-13-35(47(39)50-41)31-25-21-29(22-26-31)33-11-7-19-43-45(33)46-34(12-8-20-44(46)49-43)30-23-27-32(28-24-30)36-14-6-16-40-38-10-2-4-18-42(38)51-48(36)40/h3*1-28H.
What are the key properties of 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran?
2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran has a molecular weight of 2006.45 g/mol, XLogP of 43.56, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran is sourced from PubChem (CID 165009748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).