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

C115H68Cl3N13O3 — CID 159786687

IUPAC4-[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
SMILESClc1nc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)cc2)c2c(n1)oc1ccccc12.Clc1nc(-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2)c2c(n1)oc1ccccc12.Clc1nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C44H27ClN4O.C40H23ClN4O.C31H18ClN5O/c45-44-48-42(41-37-7-1-2-10-40(37)50-43(41)49-44)33-21-15-30(16-22-33)36-26-34(28-11-17-31(18-12-28)38-8-3-5-23-46-38)25-35(27-36)29-13-19-32(20-14-29)39-9-4-6-24-47-39;41-40-44-37(36-32-15-5-6-18-35(32)46-39(36)45-40)26-19-21-27(22-20-26)38-42-33(30-16-7-11-24-9-1-3-13-28(24)30)23-34(43-38)31-17-8-12-25-10-2-4-14-29(25)31;32-31-33-26(25-23-13-7-8-14-24(23)38-30(25)37-31)19-15-17-22(18-16-19)29-35-27(20-9-3-1-4-10-20)34-28(36-29)21-11-5-2-6-12-21/h1-27H;1-23H;1-18H
InChIKeyNIAPRKPVQSRQNQ-UHFFFAOYSA-N
MW1786.26 g/mol
LogP30.50
Rot. Bonds14

About 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

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 (PubChem CID 159786687) has the molecular formula C115H68Cl3N13O3 and a molecular weight of 1786.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159786687
Molecular FormulaC115H68Cl3N13O3
Molecular Weight1786.26 g/mol
Exact Mass1783.46
IUPAC Name4-[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
SMILESClc1nc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)cc2)c2c(n1)oc1ccccc12.Clc1nc(-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2)c2c(n1)oc1ccccc12.Clc1nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C44H27ClN4O.C40H23ClN4O.C31H18ClN5O/c45-44-48-42(41-37-7-1-2-10-40(37)50-43(41)49-44)33-21-15-30(16-22-33)36-26-34(28-11-17-31(18-12-28)38-8-3-5-23-46-38)25-35(27-36)29-13-19-32(20-14-29)39-9-4-6-24-47-39;41-40-44-37(36-32-15-5-6-18-35(32)46-39(36)45-40)26-19-21-27(22-20-26)38-42-33(30-16-7-11-24-9-1-3-13-28(24)30)23-34(43-38)31-17-8-12-25-10-2-4-14-29(25)31;32-31-33-26(25-23-13-7-8-14-24(23)38-30(25)37-31)19-15-17-22(18-16-19)29-35-27(20-9-3-1-4-10-20)34-28(36-29)21-11-5-2-6-12-21/h1-27H;1-23H;1-18H
InChIKeyNIAPRKPVQSRQNQ-UHFFFAOYSA-N
XLogP30.50
TPSA206.99 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001786.26
LogP ≤ 530.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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
2-chloro-4-[4-[8-(4-phenylphenyl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 177283221
2-(3-naphthalen-1-yl-5-phenylphenyl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 146648513
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
2-chloro-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-pyridin-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 160802720
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
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
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
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1nc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)cc2)c2c(n1)oc1ccccc12.Clc1nc(-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2)c2c(n1)oc1ccccc12.Clc1nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2c(n1)oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is NIAPRKPVQSRQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27ClN4O.C40H23ClN4O.C31H18ClN5O/c45-44-48-42(41-37-7-1-2-10-40(37)50-43(41)49-44)33-21-15-30(16-22-33)36-26-34(28-11-17-31(18-12-28)38-8-3-5-23-46-38)25-35(27-36)29-13-19-32(20-14-29)39-9-4-6-24-47-39;41-40-44-37(36-32-15-5-6-18-35(32)46-39(36)45-40)26-19-21-27(22-20-26)38-42-33(30-16-7-11-24-9-1-3-13-28(24)30)23-34(43-38)31-17-8-12-25-10-2-4-14-29(25)31;32-31-33-26(25-23-13-7-8-14-24(23)38-30(25)37-31)19-15-17-22(18-16-19)29-35-27(20-9-3-1-4-10-20)34-28(36-29)21-11-5-2-6-12-21/h1-27H;1-23H;1-18H.
What are the key properties of 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?
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 has a molecular weight of 1786.26 g/mol, XLogP of 30.50, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159786687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).