2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C202H114N12OS — CID 160765274

IUPAC2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4ccc5cc6ccccc6cc5c4)n3)cc2)c1.c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4cccc5c4oc4ccc6ccccc6c45)n3)cc2)c1.c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4cccc5c4sc4ccc6ccccc6c45)n3)cc2)c1
InChIInChI=1S/C68H38N4O.C68H38N4S.C66H38N4/c2*1-2-13-48-40(11-1)28-33-61-64(48)59-22-9-23-60(65(59)73-61)68-71-66(41-26-24-39(25-27-41)42-12-10-34-69-38-42)70-67(72-68)45-36-43(46-29-31-57-51-16-5-3-14-49(51)55-20-7-18-53(46)62(55)57)35-44(37-45)47-30-32-58-52-17-6-4-15-50(52)56-21-8-19-54(47)63(56)58;1-2-11-42-33-46-34-44(26-25-43(46)32-41(42)10-1)65-68-64(40-23-21-39(22-24-40)45-12-9-31-67-38-45)69-66(70-65)49-36-47(50-27-29-60-54-15-5-3-13-52(54)58-19-7-17-56(50)62(58)60)35-48(37-49)51-28-30-61-55-16-6-4-14-53(55)59-20-8-18-57(51)63(59)61/h2*1-38H;1-38H
InChIKeyRYPKAGWLQPKOCC-UHFFFAOYSA-N
MW2757.28 g/mol
LogP53.49
Rot. Bonds18

About 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 160765274) has the molecular formula C202H114N12OS and a molecular weight of 2757.28 g/mol. Its IUPAC name is 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID160765274
Molecular FormulaC202H114N12OS
Molecular Weight2757.28 g/mol
Exact Mass2754.90
IUPAC Name2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4ccc5cc6ccccc6cc5c4)n3)cc2)c1.c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4cccc5c4oc4ccc6ccccc6c45)n3)cc2)c1.c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4cccc5c4sc4ccc6ccccc6c45)n3)cc2)c1
InChIInChI=1S/C68H38N4O.C68H38N4S.C66H38N4/c2*1-2-13-48-40(11-1)28-33-61-64(48)59-22-9-23-60(65(59)73-61)68-71-66(41-26-24-39(25-27-41)42-12-10-34-69-38-42)70-67(72-68)45-36-43(46-29-31-57-51-16-5-3-14-49(51)55-20-7-18-53(46)62(55)57)35-44(37-45)47-30-32-58-52-17-6-4-15-50(52)56-21-8-19-54(47)63(56)58;1-2-11-42-33-46-34-44(26-25-43(46)32-41(42)10-1)65-68-64(40-23-21-39(22-24-40)45-12-9-31-67-38-45)69-66(70-65)49-36-47(50-27-29-60-54-15-5-3-13-52(54)58-19-7-17-56(50)62(58)60)35-48(37-49)51-28-30-61-55-16-6-4-14-53(55)59-20-8-18-57(51)63(59)61/h2*1-38H;1-38H
InChIKeyRYPKAGWLQPKOCC-UHFFFAOYSA-N
XLogP53.49
TPSA167.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002757.28
LogP ≤ 553.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
2-[3,5-di(anthracen-1-yl)phenyl]-4-dibenzofuran-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466365
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154949955
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077970
2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-(3-phenylphenyl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 138519802
2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[8-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-4-yl]-6-[9-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 158008493
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 159359040
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466134
2-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155079474
2-dibenzofuran-3-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078918
2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155078564

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 160765274) is 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4ccc5cc6ccccc6cc5c4)n3)cc2)c1.c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4cccc5c4oc4ccc6ccccc6c45)n3)cc2)c1.c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4cccc5c4sc4ccc6ccccc6c45)n3)cc2)c1.
What is the InChIKey of 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is RYPKAGWLQPKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N4O.C68H38N4S.C66H38N4/c2*1-2-13-48-40(11-1)28-33-61-64(48)59-22-9-23-60(65(59)73-61)68-71-66(41-26-24-39(25-27-41)42-12-10-34-69-38-42)70-67(72-68)45-36-43(46-29-31-57-51-16-5-3-14-49(51)55-20-7-18-53(46)62(55)57)35-44(37-45)47-30-32-58-52-17-6-4-15-50(52)56-21-8-19-54(47)63(56)58;1-2-11-42-33-46-34-44(26-25-43(46)32-41(42)10-1)65-68-64(40-23-21-39(22-24-40)45-12-9-31-67-38-45)69-66(70-65)49-36-47(50-27-29-60-54-15-5-3-13-52(54)58-19-7-17-56(50)62(58)60)35-48(37-49)51-28-30-61-55-16-6-4-14-53(55)59-20-8-18-57(51)63(59)61/h2*1-38H;1-38H.
What are the key properties of 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 2757.28 g/mol, XLogP of 53.49, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160765274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).