2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline

C157H93N13O6 — CID 159861404

IUPAC2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3c4ccccc4cc4ncccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc2)c1
InChIInChI=1S/C55H33N5O2.C52H30N4O2.C50H30N4O2/c1-3-17-49-45(11-1)47-15-5-13-43(51(47)61-49)40-29-41(44-14-6-16-48-46-12-2-4-18-50(46)62-52(44)48)31-42(30-40)55-59-53(36-23-19-34(20-24-36)38-9-7-27-56-32-38)58-54(60-55)37-25-21-35(22-26-37)39-10-8-28-57-33-39;1-2-13-31(14-3-1)50-54-51(56-52(55-50)47-36-16-5-4-15-32(36)30-44-43(47)23-12-26-53-44)35-28-33(37-19-10-21-41-39-17-6-8-24-45(39)57-48(37)41)27-34(29-35)38-20-11-22-42-40-18-7-9-25-46(40)58-49(38)42;1-2-11-32(12-3-1)48-52-49(33-24-22-31(23-25-33)34-13-10-26-51-30-34)54-50(53-48)37-28-35(38-16-8-18-42-40-14-4-6-20-44(40)55-46(38)42)27-36(29-37)39-17-9-19-43-41-15-5-7-21-45(41)56-47(39)43/h1-33H;1-30H;1-30H
InChIKeyNREPKNGKLJXYGH-UHFFFAOYSA-N
MW2257.56 g/mol
LogP40.90
Rot. Bonds18

About 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline (PubChem CID 159861404) has the molecular formula C157H93N13O6 and a molecular weight of 2257.56 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
PubChem CID159861404
Molecular FormulaC157H93N13O6
Molecular Weight2257.56 g/mol
Exact Mass2255.74
IUPAC Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3c4ccccc4cc4ncccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc2)c1
InChIInChI=1S/C55H33N5O2.C52H30N4O2.C50H30N4O2/c1-3-17-49-45(11-1)47-15-5-13-43(51(47)61-49)40-29-41(44-14-6-16-48-46-12-2-4-18-50(46)62-52(44)48)31-42(30-40)55-59-53(36-23-19-34(20-24-36)38-9-7-27-56-32-38)58-54(60-55)37-25-21-35(22-26-37)39-10-8-28-57-33-39;1-2-13-31(14-3-1)50-54-51(56-52(55-50)47-36-16-5-4-15-32(36)30-44-43(47)23-12-26-53-44)35-28-33(37-19-10-21-41-39-17-6-8-24-45(39)57-48(37)41)27-34(29-35)38-20-11-22-42-40-18-7-9-25-46(40)58-49(38)42;1-2-11-32(12-3-1)48-52-49(33-24-22-31(23-25-33)34-13-10-26-51-30-34)54-50(53-48)37-28-35(38-16-8-18-42-40-14-4-6-20-44(40)55-46(38)42)27-36(29-37)39-17-9-19-43-41-15-5-7-21-45(41)56-47(39)43/h1-33H;1-30H;1-30H
InChIKeyNREPKNGKLJXYGH-UHFFFAOYSA-N
XLogP40.90
TPSA246.41 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002257.56
LogP ≤ 540.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline with MolForge

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Related Compounds

2-[3,5-di(anthracen-1-yl)phenyl]-4-dibenzofuran-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466365
10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466285
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154949955
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466134
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
2-[3,5-di(anthracen-9-yl)phenyl]-4-dibenzofuran-3-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466295
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
5-[3-benzo[g]quinolin-5-yl-5-[4-dibenzothiophen-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]quinoline
CID 153466199
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?
The IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline (CID 159861404) is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?
The canonical SMILES for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline is c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3c4ccccc4cc4ncccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc2)c1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?
The InChIKey is NREPKNGKLJXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O2.C52H30N4O2.C50H30N4O2/c1-3-17-49-45(11-1)47-15-5-13-43(51(47)61-49)40-29-41(44-14-6-16-48-46-12-2-4-18-50(46)62-52(44)48)31-42(30-40)55-59-53(36-23-19-34(20-24-36)38-9-7-27-56-32-38)58-54(60-55)37-25-21-35(22-26-37)39-10-8-28-57-33-39;1-2-13-31(14-3-1)50-54-51(56-52(55-50)47-36-16-5-4-15-32(36)30-44-43(47)23-12-26-53-44)35-28-33(37-19-10-21-41-39-17-6-8-24-45(39)57-48(37)41)27-34(29-35)38-20-11-22-42-40-18-7-9-25-46(40)58-49(38)42;1-2-11-32(12-3-1)48-52-49(33-24-22-31(23-25-33)34-13-10-26-51-30-34)54-50(53-48)37-28-35(38-16-8-18-42-40-14-4-6-20-44(40)55-46(38)42)27-36(29-37)39-17-9-19-43-41-15-5-7-21-45(41)56-47(39)43/h1-33H;1-30H;1-30H.
What are the key properties of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline?
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline has a molecular weight of 2257.56 g/mol, XLogP of 40.90, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;5-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline is sourced from PubChem (CID 159861404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).