4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine

C86H54N8O2 — CID 158338407

IUPAC4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c4c(n3)oc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)c3c(n2)oc2ccccc23)cc1
InChIInChI=1S/C44H28N4O.C42H26N4O/c1-2-10-33(11-3-1)43-47-42(41-37-12-4-5-15-40(37)49-44(41)48-43)36-27-34(29-16-20-31(21-17-29)38-13-6-8-24-45-38)26-35(28-36)30-18-22-32(23-19-30)39-14-7-9-25-46-39;1-3-11-27(12-4-1)28-19-23-32(24-20-28)41-45-39(37-34-16-8-10-18-36(34)47-42(37)46-41)30-21-25-31(26-22-30)40-43-35-17-9-7-15-33(35)38(44-40)29-13-5-2-6-14-29/h1-28H;1-26H
InChIKeyGQWFQASIXMRZPT-UHFFFAOYSA-N
MW1231.43 g/mol
LogP21.82
Rot. Bonds11

About 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine

4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 158338407) has the molecular formula C86H54N8O2 and a molecular weight of 1231.43 g/mol. Its IUPAC name is 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID158338407
Molecular FormulaC86H54N8O2
Molecular Weight1231.43 g/mol
Exact Mass1230.44
IUPAC Name4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c4c(n3)oc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)c3c(n2)oc2ccccc23)cc1
InChIInChI=1S/C44H28N4O.C42H26N4O/c1-2-10-33(11-3-1)43-47-42(41-37-12-4-5-15-40(37)49-44(41)48-43)36-27-34(29-16-20-31(21-17-29)38-13-6-8-24-45-38)26-35(28-36)30-18-22-32(23-19-30)39-14-7-9-25-46-39;1-3-11-27(12-4-1)28-19-23-32(24-20-28)41-45-39(37-34-16-8-10-18-36(34)47-42(37)46-41)30-21-25-31(26-22-30)40-43-35-17-9-7-15-33(35)38(44-40)29-13-5-2-6-14-29/h1-28H;1-26H
InChIKeyGQWFQASIXMRZPT-UHFFFAOYSA-N
XLogP21.82
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.43
LogP ≤ 521.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
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
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-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]-2-chloro-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 159786687
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-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628767
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628766
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
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 122628784

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 158338407) is 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c4c(n3)oc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)c3c(n2)oc2ccccc23)cc1.
What is the InChIKey of 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is GQWFQASIXMRZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O.C42H26N4O/c1-2-10-33(11-3-1)43-47-42(41-37-12-4-5-15-40(37)49-44(41)48-43)36-27-34(29-16-20-31(21-17-29)38-13-6-8-24-45-38)26-35(28-36)30-18-22-32(23-19-30)39-14-7-9-25-46-39;1-3-11-27(12-4-1)28-19-23-32(24-20-28)41-45-39(37-34-16-8-10-18-36(34)47-42(37)46-41)30-21-25-31(26-22-30)40-43-35-17-9-7-15-33(35)38(44-40)29-13-5-2-6-14-29/h1-28H;1-26H.
What are the key properties of 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?
4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 1231.43 g/mol, XLogP of 21.82, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 158338407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).