2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine

C106H62BrCl3N8O2S2 — CID 159017207

IUPAC2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESBrc1cccc(-c2nc(-c3ccc4ccccc4c3)c3oc4ccccc4c3n2)c1.Clc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2oc3ccccc3c2n1.Clc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)c2sc3ccccc3c2n1
InChIInChI=1S/C28H17ClN2O.C26H15BrN2O.2C26H15ClN2S/c29-28-30-25(27-26(31-28)23-13-7-8-14-24(23)32-27)22-16-20(18-9-3-1-4-10-18)15-21(17-22)19-11-5-2-6-12-19;27-20-9-5-8-19(15-20)26-28-23(18-13-12-16-6-1-2-7-17(16)14-18)25-24(29-26)21-10-3-4-11-22(21)30-25;27-26-28-23(25-24(29-26)21-7-3-4-8-22(21)30-25)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20;27-26-28-23(25-24(29-26)21-8-4-5-9-22(21)30-25)20-13-12-18-14-17(10-11-19(18)15-20)16-6-2-1-3-7-16/h1-17H;3*1-15H
InChIKeyJTFYPFXPATZRGT-UHFFFAOYSA-N
MW1730.11 g/mol
LogP31.63
Rot. Bonds9

About 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine

2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159017207) has the molecular formula C106H62BrCl3N8O2S2 and a molecular weight of 1730.11 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID159017207
Molecular FormulaC106H62BrCl3N8O2S2
Molecular Weight1730.11 g/mol
Exact Mass1726.27
IUPAC Name2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESBrc1cccc(-c2nc(-c3ccc4ccccc4c3)c3oc4ccccc4c3n2)c1.Clc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2oc3ccccc3c2n1.Clc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)c2sc3ccccc3c2n1
InChIInChI=1S/C28H17ClN2O.C26H15BrN2O.2C26H15ClN2S/c29-28-30-25(27-26(31-28)23-13-7-8-14-24(23)32-27)22-16-20(18-9-3-1-4-10-18)15-21(17-22)19-11-5-2-6-12-19;27-20-9-5-8-19(15-20)26-28-23(18-13-12-16-6-1-2-7-17(16)14-18)25-24(29-26)21-10-3-4-11-22(21)30-25;27-26-28-23(25-24(29-26)21-7-3-4-8-22(21)30-25)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20;27-26-28-23(25-24(29-26)21-8-4-5-9-22(21)30-25)20-13-12-18-14-17(10-11-19(18)15-20)16-6-2-1-3-7-16/h1-17H;3*1-15H
InChIKeyJTFYPFXPATZRGT-UHFFFAOYSA-N
XLogP31.63
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001730.11
LogP ≤ 531.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-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-(4-phenylphenyl)-4-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158895567
2-chloro-4-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158997322
4-phenyl-2-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 157084439
2-(3-phenylphenyl)-4-[3-[3-[3-phenyl-5-[3-[4-[3-[3-[3-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163725705
2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118544103
2-(3-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(3-naphthalen-2-ylphenyl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 160968814
4-phenyl-2-[3-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229396
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 177129854
4-(7-phenylnaphthalen-2-yl)-2-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170091795
4-naphthalen-2-yl-2-(8-phenyldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170091735
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170091598

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine (CID 159017207) is 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine is Brc1cccc(-c2nc(-c3ccc4ccccc4c3)c3oc4ccccc4c3n2)c1.Clc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2oc3ccccc3c2n1.Clc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)c2sc3ccccc3c2n1.
What is the InChIKey of 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is JTFYPFXPATZRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClN2O.C26H15BrN2O.2C26H15ClN2S/c29-28-30-25(27-26(31-28)23-13-7-8-14-24(23)32-27)22-16-20(18-9-3-1-4-10-18)15-21(17-22)19-11-5-2-6-12-19;27-20-9-5-8-19(15-20)26-28-23(18-13-12-16-6-1-2-7-17(16)14-18)25-24(29-26)21-10-3-4-11-22(21)30-25;27-26-28-23(25-24(29-26)21-7-3-4-8-22(21)30-25)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20;27-26-28-23(25-24(29-26)21-8-4-5-9-22(21)30-25)20-13-12-18-14-17(10-11-19(18)15-20)16-6-2-1-3-7-16/h1-17H;3*1-15H.
What are the key properties of 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1730.11 g/mol, XLogP of 31.63, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159017207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).