4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline

C180H135N3O5S7 — CID 159730276

IUPAC4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)c4ccc(-c5cccc6c5Sc5ccccc5O6)cc4)cc3)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5O6)cc4)c4ccc(-c5cccc6c5Sc5ccccc5C6(C)C)cc4)cc3)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccc(N(c4ccc(-c5cccc6c5Sc5ccccc5S6)cc4)c4ccc(-c5cccc6c5Sc5ccccc5C6(C)C)cc4)cc3)cccc21
InChIInChI=1S/C60H45NO3S.C60H45NO2S2.C60H45NS4/c1-59(2)47-17-5-7-21-51(47)63-56-44(14-11-19-49(56)59)38-26-32-41(33-27-38)61(43-36-30-40(31-37-43)46-16-13-24-54-58(46)65-55-25-10-9-23-53(55)62-54)42-34-28-39(29-35-42)45-15-12-20-50-57(45)64-52-22-8-6-18-48(52)60(50,3)4;1-59(2)47-17-5-9-24-54(47)64-57-45(15-11-19-49(57)59)39-28-34-42(35-29-39)61(41-32-26-38(27-33-41)44-14-13-23-53-56(44)63-52-22-8-7-21-51(52)62-53)43-36-30-40(31-37-43)46-16-12-20-50-58(46)65-55-25-10-6-18-48(55)60(50,3)4;1-59(2)47-17-5-7-21-51(47)63-56-44(14-11-19-49(56)59)38-26-32-41(33-27-38)61(43-36-30-40(31-37-43)46-16-13-25-55-58(46)65-54-24-10-9-23-53(54)62-55)42-34-28-39(29-35-42)45-15-12-20-50-57(45)64-52-22-8-6-18-48(52)60(50,3)4/h3*5-37H,1-4H3
InChIKeyNBDPUSTXRDCDPJ-UHFFFAOYSA-N
MW2644.54 g/mol
LogP53.27
Rot. Bonds18

About 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline

4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline (PubChem CID 159730276) has the molecular formula C180H135N3O5S7 and a molecular weight of 2644.54 g/mol. Its IUPAC name is 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
PubChem CID159730276
Molecular FormulaC180H135N3O5S7
Molecular Weight2644.54 g/mol
Exact Mass2641.84
IUPAC Name4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)c4ccc(-c5cccc6c5Sc5ccccc5O6)cc4)cc3)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5O6)cc4)c4ccc(-c5cccc6c5Sc5ccccc5C6(C)C)cc4)cc3)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccc(N(c4ccc(-c5cccc6c5Sc5ccccc5S6)cc4)c4ccc(-c5cccc6c5Sc5ccccc5C6(C)C)cc4)cc3)cccc21
InChIInChI=1S/C60H45NO3S.C60H45NO2S2.C60H45NS4/c1-59(2)47-17-5-7-21-51(47)63-56-44(14-11-19-49(56)59)38-26-32-41(33-27-38)61(43-36-30-40(31-37-43)46-16-13-24-54-58(46)65-55-25-10-9-23-53(55)62-54)42-34-28-39(29-35-42)45-15-12-20-50-57(45)64-52-22-8-6-18-48(52)60(50,3)4;1-59(2)47-17-5-9-24-54(47)64-57-45(15-11-19-49(57)59)39-28-34-42(35-29-39)61(41-32-26-38(27-33-41)44-14-13-23-53-56(44)63-52-22-8-7-21-51(52)62-53)43-36-30-40(31-37-43)46-16-12-20-50-58(46)65-55-25-10-6-18-48(55)60(50,3)4;1-59(2)47-17-5-7-21-51(47)63-56-44(14-11-19-49(56)59)38-26-32-41(33-27-38)61(43-36-30-40(31-37-43)46-16-13-25-55-58(46)65-54-24-10-9-23-53(54)62-55)42-34-28-39(29-35-42)45-15-12-20-50-57(45)64-52-22-8-6-18-48(52)60(50,3)4/h3*5-37H,1-4H3
InChIKeyNBDPUSTXRDCDPJ-UHFFFAOYSA-N
XLogP53.27
TPSA55.87 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.54
LogP ≤ 553.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline with MolForge

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Related Compounds

4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 123864613
4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline
CID 118133987
N-(4-dibenzo-p-dioxin-1-ylphenyl)-N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-N-(4-phenoxathiin-4-ylphenyl)-4-phenylaniline;N-[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenyl-N-(4-thianthren-1-ylphenyl)aniline
CID 159509314
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylthioxanthen-4-amine
CID 118134091
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
4-[4-[4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]anilino]phenyl]-N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]aniline
CID 90365709
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline
CID 123521859
N,N-bis[4-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4-phenoxathiin-1-ylaniline
CID 123782068
N-(9,9-dimethylxanthen-4-yl)-N-(4-phenylphenyl)phenoxathiin-4-amine
CID 118133993

Frequently Asked Questions

What is the IUPAC name of 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline?
The IUPAC name of 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline (CID 159730276) is 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline.
What is the SMILES notation for 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline?
The canonical SMILES for 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline is CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)c4ccc(-c5cccc6c5Sc5ccccc5O6)cc4)cc3)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5O6)cc4)c4ccc(-c5cccc6c5Sc5ccccc5C6(C)C)cc4)cc3)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccc(N(c4ccc(-c5cccc6c5Sc5ccccc5S6)cc4)c4ccc(-c5cccc6c5Sc5ccccc5C6(C)C)cc4)cc3)cccc21.
What is the InChIKey of 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline?
The InChIKey is NBDPUSTXRDCDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO3S.C60H45NO2S2.C60H45NS4/c1-59(2)47-17-5-7-21-51(47)63-56-44(14-11-19-49(56)59)38-26-32-41(33-27-38)61(43-36-30-40(31-37-43)46-16-13-24-54-58(46)65-55-25-10-9-23-53(55)62-54)42-34-28-39(29-35-42)45-15-12-20-50-57(45)64-52-22-8-6-18-48(52)60(50,3)4;1-59(2)47-17-5-9-24-54(47)64-57-45(15-11-19-49(57)59)39-28-34-42(35-29-39)61(41-32-26-38(27-33-41)44-14-13-23-53-56(44)63-52-22-8-7-21-51(52)62-53)43-36-30-40(31-37-43)46-16-12-20-50-58(46)65-55-25-10-6-18-48(55)60(50,3)4;1-59(2)47-17-5-7-21-51(47)63-56-44(14-11-19-49(56)59)38-26-32-41(33-27-38)61(43-36-30-40(31-37-43)46-16-13-25-55-58(46)65-54-24-10-9-23-53(54)62-55)42-34-28-39(29-35-42)45-15-12-20-50-57(45)64-52-22-8-6-18-48(52)60(50,3)4/h3*5-37H,1-4H3.
What are the key properties of 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline?
4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline has a molecular weight of 2644.54 g/mol, XLogP of 53.27, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzo-p-dioxin-1-yl-N,N-bis[4-(9,9-dimethylthioxanthen-4-yl)phenyl]aniline;4-(9,9-dimethylthioxanthen-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-thianthren-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline is sourced from PubChem (CID 159730276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).