2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine

C61H37N5O — CID 163761534

IUPAC2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)n3)n2)cc1
InChIInChI=1S/C61H37N5O/c1-3-15-39(16-4-1)58-62-53(44-20-13-19-42(35-44)43-33-34-50-48-23-8-7-21-46(48)47-22-9-10-24-49(47)52(50)36-43)37-54(63-58)61-65-59(40-17-5-2-6-18-40)64-60(66-61)41-31-29-38(30-32-41)45-26-14-28-56-57(45)51-25-11-12-27-55(51)67-56/h1-37H
InChIKeyLYOXZWPPEKJOIP-UHFFFAOYSA-N
MW856.00 g/mol
LogP15.69
Rot. Bonds7

About 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine (PubChem CID 163761534) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine
PubChem CID163761534
Molecular FormulaC61H37N5O
Molecular Weight856.00 g/mol
Exact Mass855.30
IUPAC Name2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)n3)n2)cc1
InChIInChI=1S/C61H37N5O/c1-3-15-39(16-4-1)58-62-53(44-20-13-19-42(35-44)43-33-34-50-48-23-8-7-21-46(48)47-22-9-10-24-49(47)52(50)36-43)37-54(63-58)61-65-59(40-17-5-2-6-18-40)64-60(66-61)41-31-29-38(30-32-41)45-26-14-28-56-57(45)51-25-11-12-27-55(51)67-56/h1-37H
InChIKeyLYOXZWPPEKJOIP-UHFFFAOYSA-N
XLogP15.69
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
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
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-[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
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine (CID 163761534) is 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)n3)n2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine?
The InChIKey is LYOXZWPPEKJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-3-15-39(16-4-1)58-62-53(44-20-13-19-42(35-44)43-33-34-50-48-23-8-7-21-46(48)47-22-9-10-24-49(47)52(50)36-43)37-54(63-58)61-65-59(40-17-5-2-6-18-40)64-60(66-61)41-31-29-38(30-32-41)45-26-14-28-56-57(45)51-25-11-12-27-55(51)67-56/h1-37H.
What are the key properties of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine?
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine has a molecular weight of 856.00 g/mol, XLogP of 15.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine is sourced from PubChem (CID 163761534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).