2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

C56H34N4OS — CID 122489787

IUPAC2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc6sc7ccccc7c56)c4)c4c(n3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H34N4OS/c1-4-14-35(15-5-1)38-24-28-40(29-25-38)53-57-51(49-45-20-10-12-22-47(45)61-55(49)59-53)43-32-42(37-18-8-3-9-19-37)33-44(34-43)52-50-46-21-11-13-23-48(46)62-56(50)60-54(58-52)41-30-26-39(27-31-41)36-16-6-2-7-17-36/h1-34H
InChIKeyAFYUVBDZCKNHAR-UHFFFAOYSA-N
MW810.98 g/mol
LogP15.20
Rot. Bonds7

About 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 122489787) has the molecular formula C56H34N4OS and a molecular weight of 810.98 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID122489787
Molecular FormulaC56H34N4OS
Molecular Weight810.98 g/mol
Exact Mass810.25
IUPAC Name2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc6sc7ccccc7c56)c4)c4c(n3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H34N4OS/c1-4-14-35(15-5-1)38-24-28-40(29-25-38)53-57-51(49-45-20-10-12-22-47(45)61-55(49)59-53)43-32-42(37-18-8-3-9-19-37)33-44(34-43)52-50-46-21-11-13-23-48(46)62-56(50)60-54(58-52)41-30-26-39(27-31-41)36-16-6-2-7-17-36/h1-34H
InChIKeyAFYUVBDZCKNHAR-UHFFFAOYSA-N
XLogP15.20
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.98
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 157189714
4-phenyl-2-[3-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489496
2-[4-(3,5-diphenylphenyl)phenyl]-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 130210666
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-(4-phenylphenyl)-4-[3-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489819
2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489620
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
2,4-bis[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;4-[3-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 158156586
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-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
CID 134253007
2-[3-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]-4-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489663

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 122489787) is 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc6sc7ccccc7c56)c4)c4c(n3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is AFYUVBDZCKNHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4OS/c1-4-14-35(15-5-1)38-24-28-40(29-25-38)53-57-51(49-45-20-10-12-22-47(45)61-55(49)59-53)43-32-42(37-18-8-3-9-19-37)33-44(34-43)52-50-46-21-11-13-23-48(46)62-56(50)60-54(58-52)41-30-26-39(27-31-41)36-16-6-2-7-17-36/h1-34H.
What are the key properties of 2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
2-(4-phenylphenyl)-4-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 810.98 g/mol, XLogP of 15.20, 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-[3-phenyl-5-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 122489787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).