2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C174H108N12O6S — CID 161305738

IUPAC2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc21.c1cncc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)c1
InChIInChI=1S/2C59H38N4O2.C56H32N4O2S/c1-59(2)50-20-6-3-13-44(50)45-28-27-37(33-51(45)59)57-61-56(36-25-23-35(24-26-36)38-12-11-29-60-34-38)62-58(63-57)41-31-39(42-16-9-18-48-46-14-4-7-21-52(46)64-54(42)48)30-40(32-41)43-17-10-19-49-47-15-5-8-22-53(47)65-55(43)49;1-59(2)50-20-6-3-13-44(50)49-33-37(27-28-51(49)59)57-61-56(36-25-23-35(24-26-36)38-12-11-29-60-34-38)62-58(63-57)41-31-39(42-16-9-18-47-45-14-4-7-21-52(45)64-54(42)47)30-40(32-41)43-17-10-19-48-46-15-5-8-22-53(46)65-55(43)48;1-4-21-48-41(12-1)44-17-7-15-39(51(44)61-48)36-29-37(40-16-8-18-45-42-13-2-5-22-49(42)62-52(40)45)31-38(30-36)55-58-54(34-26-24-33(25-27-34)35-11-10-28-57-32-35)59-56(60-55)47-20-9-19-46-43-14-3-6-23-50(43)63-53(46)47/h2*3-34H,1-2H3;1-32H
InChIKeyVIFJUQDKPWNPBI-UHFFFAOYSA-N
MW2494.92 g/mol
LogP46.18
Rot. Bonds18

About 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 161305738) has the molecular formula C174H108N12O6S and a molecular weight of 2494.92 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID161305738
Molecular FormulaC174H108N12O6S
Molecular Weight2494.92 g/mol
Exact Mass2492.82
IUPAC Name2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc21.c1cncc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)c1
InChIInChI=1S/2C59H38N4O2.C56H32N4O2S/c1-59(2)50-20-6-3-13-44(50)45-28-27-37(33-51(45)59)57-61-56(36-25-23-35(24-26-36)38-12-11-29-60-34-38)62-58(63-57)41-31-39(42-16-9-18-48-46-14-4-7-21-52(46)64-54(42)48)30-40(32-41)43-17-10-19-49-47-15-5-8-22-53(47)65-55(43)49;1-59(2)50-20-6-3-13-44(50)49-33-37(27-28-51(49)59)57-61-56(36-25-23-35(24-26-36)38-12-11-29-60-34-38)62-58(63-57)41-31-39(42-16-9-18-47-45-14-4-7-21-52(45)64-54(42)47)30-40(32-41)43-17-10-19-48-46-15-5-8-22-53(46)65-55(43)48;1-4-21-48-41(12-1)44-17-7-15-39(51(44)61-48)36-29-37(40-16-8-18-45-42-13-2-5-22-49(42)62-52(40)45)31-38(30-36)55-58-54(34-26-24-33(25-27-34)35-11-10-28-57-32-35)59-56(60-55)47-20-9-19-46-43-14-3-6-23-50(43)63-53(46)47/h2*3-34H,1-2H3;1-32H
InChIKeyVIFJUQDKPWNPBI-UHFFFAOYSA-N
XLogP46.18
TPSA233.52 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002494.92
LogP ≤ 546.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-3-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519456
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-4-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096713
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096731
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(4-pyridin-4-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341426
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
2-(3-Dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 161379202
Benzene;benzonitrile;1,1'-biphenyl;tetrakis(tert-butylbenzene);9-tert-butylcarbazole;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;hexadecakis(2,2-dimethylpropane);fluorobenzene;4-methylpyridine;2-methylpyrimidine;naphthalene;phenanthrene;bis(pyridine);bis(pyrimidine);toluene;trifluoromethylbenzene
CID 164951135
2-[4-Deuterio-2-[7'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[6'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[7'-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-trimethylsilane;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]quinoline;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-yl]quinoline;2-[4-[7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]-3-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 165024171
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980
4-Methyl-6-[4-[4-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidine
CID 118345439

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 161305738) is 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc21.c1cncc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is VIFJUQDKPWNPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H38N4O2.C56H32N4O2S/c1-59(2)50-20-6-3-13-44(50)45-28-27-37(33-51(45)59)57-61-56(36-25-23-35(24-26-36)38-12-11-29-60-34-38)62-58(63-57)41-31-39(42-16-9-18-48-46-14-4-7-21-52(46)64-54(42)48)30-40(32-41)43-17-10-19-49-47-15-5-8-22-53(47)65-55(43)49;1-59(2)50-20-6-3-13-44(50)49-33-37(27-28-51(49)59)57-61-56(36-25-23-35(24-26-36)38-12-11-29-60-34-38)62-58(63-57)41-31-39(42-16-9-18-47-45-14-4-7-21-52(45)64-54(42)47)30-40(32-41)43-17-10-19-48-46-15-5-8-22-53(46)65-55(43)48;1-4-21-48-41(12-1)44-17-7-15-39(51(44)61-48)36-29-37(40-16-8-18-45-42-13-2-5-22-49(42)62-52(40)45)31-38(30-36)55-58-54(34-26-24-33(25-27-34)35-11-10-28-57-32-35)59-56(60-55)47-20-9-19-46-43-14-3-6-23-50(43)63-53(46)47/h2*3-34H,1-2H3;1-32H.
What are the key properties of 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 2494.92 g/mol, XLogP of 46.18, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 161305738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).