2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine

C56H36N4O — CID 163578711

IUPAC2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6ccccc6c5c4-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)n2)cc1
InChIInChI=1S/C56H36N4O/c1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)58-55(57-47)43-27-15-25-41(33-43)45-31-32-52-54(46-29-13-14-30-51(46)61-52)53(45)42-26-16-28-44(34-42)56-59-49(39-21-9-3-10-22-39)36-50(60-56)40-23-11-4-12-24-40/h1-36H
InChIKeyGFSJQWHCXTZBMJ-UHFFFAOYSA-N
MW780.93 g/mol
LogP14.50
Rot. Bonds8

About 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine

2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 163578711) has the molecular formula C56H36N4O and a molecular weight of 780.93 g/mol. Its IUPAC name is 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine
PubChem CID163578711
Molecular FormulaC56H36N4O
Molecular Weight780.93 g/mol
Exact Mass780.29
IUPAC Name2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6ccccc6c5c4-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)n2)cc1
InChIInChI=1S/C56H36N4O/c1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)58-55(57-47)43-27-15-25-41(33-43)45-31-32-52-54(46-29-13-14-30-51(46)61-52)53(45)42-26-16-28-44(34-42)56-59-49(39-21-9-3-10-22-39)36-50(60-56)40-23-11-4-12-24-40/h1-36H
InChIKeyGFSJQWHCXTZBMJ-UHFFFAOYSA-N
XLogP14.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163603081
2-[1-(4-phenanthren-9-ylphenyl)dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491327
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170246998
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628766
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
14-phenyl-2-[3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 147220764
2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 142491356
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine (CID 163578711) is 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6ccccc6c5c4-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is GFSJQWHCXTZBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O/c1-5-17-37(18-6-1)47-35-48(38-19-7-2-8-20-38)58-55(57-47)43-27-15-25-41(33-43)45-31-32-52-54(46-29-13-14-30-51(46)61-52)53(45)42-26-16-28-44(34-42)56-59-49(39-21-9-3-10-22-39)36-50(60-56)40-23-11-4-12-24-40/h1-36H.
What are the key properties of 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine?
2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 780.93 g/mol, XLogP of 14.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 163578711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).