2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine

C161H99N7O3 — CID 159717872

IUPAC2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)cc6c45)cc3)n2)cc1
InChIInChI=1S/C57H35N3O.2C52H32N2O/c1-3-12-39(13-4-1)55-58-56(40-14-5-2-6-15-40)60-57(59-55)41-28-26-38(27-29-41)44-20-11-21-53-54(44)51-35-43(31-33-52(51)61-53)37-24-22-36(23-25-37)42-30-32-49-47-18-8-7-16-45(47)46-17-9-10-19-48(46)50(49)34-42;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)44-20-11-21-50-51(44)46-31-38(27-29-49(46)55-50)37-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)45(43)30-37/h1-35H;2*1-32H
InChIKeyMZQUKZCTHZLQEI-UHFFFAOYSA-N
MW2179.61 g/mol
LogP43.57
Rot. Bonds16

About 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine

2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine (PubChem CID 159717872) has the molecular formula C161H99N7O3 and a molecular weight of 2179.61 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
PubChem CID159717872
Molecular FormulaC161H99N7O3
Molecular Weight2179.61 g/mol
Exact Mass2177.78
IUPAC Name2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)cc6c45)cc3)n2)cc1
InChIInChI=1S/C57H35N3O.2C52H32N2O/c1-3-12-39(13-4-1)55-58-56(40-14-5-2-6-15-40)60-57(59-55)41-28-26-38(27-29-41)44-20-11-21-53-54(44)51-35-43(31-33-52(51)61-53)37-24-22-36(23-25-37)42-30-32-49-47-18-8-7-16-45(47)46-17-9-10-19-48(46)50(49)34-42;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)44-20-11-21-50-51(44)46-31-38(27-29-49(46)55-50)37-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)45(43)30-37/h1-35H;2*1-32H
InChIKeyMZQUKZCTHZLQEI-UHFFFAOYSA-N
XLogP43.57
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002179.61
LogP ≤ 543.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 158170938
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine
CID 163761534
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2,4-diphenyl-6-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]pyrimidine;4,6-diphenyl-2-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]pyrimidine;2-[8-(3-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-[3-(5-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(4-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159457867
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138672004
2-[8-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167167260
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952974
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine (CID 159717872) is 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccc(-c7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cc7)cc6c45)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
The InChIKey is MZQUKZCTHZLQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.2C52H32N2O/c1-3-12-39(13-4-1)55-58-56(40-14-5-2-6-15-40)60-57(59-55)41-28-26-38(27-29-41)44-20-11-21-53-54(44)51-35-43(31-33-52(51)61-53)37-24-22-36(23-25-37)42-30-32-49-47-18-8-7-16-45(47)46-17-9-10-19-48(46)50(49)34-42;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)44-20-11-21-50-51(44)46-31-38(27-29-49(46)55-50)37-26-28-43-41-18-8-7-16-39(41)40-17-9-10-19-42(40)45(43)30-37/h1-35H;2*1-32H.
What are the key properties of 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine has a molecular weight of 2179.61 g/mol, XLogP of 43.57, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine is sourced from PubChem (CID 159717872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).