2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

C56H34N4O2 — CID 122489906

IUPAC2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4-c4nc(-c5ccc(-c6ccccc6)cc5)c5c(n4)oc4ccccc45)c4c(n3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H34N4O2/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)51-49-45-23-11-13-25-47(45)61-55(49)60-54(57-51)44-22-10-8-20-42(44)41-19-7-9-21-43(41)52-50-46-24-12-14-26-48(46)62-56(50)59-53(58-52)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34H
InChIKeyOCYYGRVYJJGGQM-UHFFFAOYSA-N
MW794.91 g/mol
LogP14.73
Rot. Bonds7

About 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 122489906) has the molecular formula C56H34N4O2 and a molecular weight of 794.91 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID122489906
Molecular FormulaC56H34N4O2
Molecular Weight794.91 g/mol
Exact Mass794.27
IUPAC Name2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4-c4nc(-c5ccc(-c6ccccc6)cc5)c5c(n4)oc4ccccc45)c4c(n3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H34N4O2/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)51-49-45-23-11-13-25-47(45)61-55(49)60-54(57-51)44-22-10-8-20-42(44)41-19-7-9-21-43(41)52-50-46-24-12-14-26-48(46)62-56(50)59-53(58-52)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34H
InChIKeyOCYYGRVYJJGGQM-UHFFFAOYSA-N
XLogP14.73
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.91
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylphenyl)-4-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158409214
2-phenyl-4-[2-[2-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489892
2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489923
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754
2-(4-phenylphenyl)-4-[3-[3-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489786
2-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628772
2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 146648513
14-phenyl-12-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 129129246
2-naphthalen-1-yl-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 129129194
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 167047552

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 122489906) is 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4-c4nc(-c5ccc(-c6ccccc6)cc5)c5c(n4)oc4ccccc45)c4c(n3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is OCYYGRVYJJGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)51-49-45-23-11-13-25-47(45)61-55(49)60-54(57-51)44-22-10-8-20-42(44)41-19-7-9-21-43(41)52-50-46-24-12-14-26-48(46)62-56(50)59-53(58-52)40-33-29-38(30-34-40)36-17-5-2-6-18-36/h1-34H.
What are the key properties of 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 794.91 g/mol, XLogP of 14.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-[2-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 122489906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).