4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline

C59H37N3O — CID 162455079

IUPAC4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5nc(-c5ccc7ccccc7c5)c5oc7ccccc7c56)cc4)n3)cc2)cc1
InChIInChI=1S/C59H37N3O/c1-3-12-38(13-4-1)41-22-29-44(30-23-41)52-37-53(45-31-24-42(25-32-45)39-14-5-2-6-15-39)61-59(60-52)46-33-27-43(28-34-46)49-19-11-20-51-55-50-18-9-10-21-54(50)63-58(55)56(62-57(49)51)48-35-26-40-16-7-8-17-47(40)36-48/h1-37H
InChIKeyOOYVGNBMCBRGEB-UHFFFAOYSA-N
MW803.97 g/mol
LogP15.75
Rot. Bonds7

About 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline

4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline (PubChem CID 162455079) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
PubChem CID162455079
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5nc(-c5ccc7ccccc7c5)c5oc7ccccc7c56)cc4)n3)cc2)cc1
InChIInChI=1S/C59H37N3O/c1-3-12-38(13-4-1)41-22-29-44(30-23-41)52-37-53(45-31-24-42(25-32-45)39-14-5-2-6-15-39)61-59(60-52)46-33-27-43(28-34-46)49-19-11-20-51-55-50-18-9-10-21-54(50)63-58(55)56(62-57(49)51)48-35-26-40-16-7-8-17-47(40)36-48/h1-37H
InChIKeyOOYVGNBMCBRGEB-UHFFFAOYSA-N
XLogP15.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline
CID 157187607
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159893353
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 161214139
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
CID 160531838
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 158431383
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
4-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 148953478
11-[3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 162703565
11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 162703350
4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159309562
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline (CID 162455079) is 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5nc(-c5ccc7ccccc7c5)c5oc7ccccc7c56)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is OOYVGNBMCBRGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-3-12-38(13-4-1)41-22-29-44(30-23-41)52-37-53(45-31-24-42(25-32-45)39-14-5-2-6-15-39)61-59(60-52)46-33-27-43(28-34-46)49-19-11-20-51-55-50-18-9-10-21-54(50)63-58(55)56(62-57(49)51)48-35-26-40-16-7-8-17-47(40)36-48/h1-37H.
What are the key properties of 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline?
4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 803.97 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 162455079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).