2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine

C113H69Cl6N13OS — CID 159196910

IUPAC2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine
SMILESClc1ccc2ccn(-c3ccccc3)c2n1.Clc1cnc2ccn(-c3ccccc3)c2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2c(ccc3ccccc32)n1.Clc1nc(-c2ccc3ccccc3c2)c2ccc3ccccc3c2n1.Clc1nc(-c2cccc(-c3ccccc3)c2)c2sc3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2oc3ccccc3c2n1
InChIInChI=1S/C24H15ClN2.C22H13ClN2S.C22H13ClN2.C20H11ClN2O.C13H9ClN2.C12H8ClN3/c25-24-26-21-15-14-18-8-4-5-9-20(18)22(21)23(27-24)19-12-10-17(11-13-19)16-6-2-1-3-7-16;23-22-24-19(21-20(25-22)17-11-4-5-12-18(17)26-21)16-10-6-9-15(13-16)14-7-2-1-3-8-14;23-22-24-20(17-10-9-14-5-1-2-7-16(14)13-17)19-12-11-15-6-3-4-8-18(15)21(19)25-22;21-20-22-17(14-10-5-7-12-6-1-2-8-13(12)14)19-18(23-20)15-9-3-4-11-16(15)24-19;14-12-7-6-10-8-9-16(13(10)15-12)11-4-2-1-3-5-11;13-11-8-14-10-6-7-16(12(10)15-11)9-4-2-1-3-5-9/h1-15H;1-13H;1-13H;1-11H;1-9H;1-8H
InChIKeyKOTUJEOMMJNPEN-UHFFFAOYSA-N
MW1869.67 g/mol
LogP32.46
Rot. Bonds8

About 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine

2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine (PubChem CID 159196910) has the molecular formula C113H69Cl6N13OS and a molecular weight of 1869.67 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine
PubChem CID159196910
Molecular FormulaC113H69Cl6N13OS
Molecular Weight1869.67 g/mol
Exact Mass1865.36
IUPAC Name2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine
SMILESClc1ccc2ccn(-c3ccccc3)c2n1.Clc1cnc2ccn(-c3ccccc3)c2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2c(ccc3ccccc32)n1.Clc1nc(-c2ccc3ccccc3c2)c2ccc3ccccc3c2n1.Clc1nc(-c2cccc(-c3ccccc3)c2)c2sc3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2oc3ccccc3c2n1
InChIInChI=1S/C24H15ClN2.C22H13ClN2S.C22H13ClN2.C20H11ClN2O.C13H9ClN2.C12H8ClN3/c25-24-26-21-15-14-18-8-4-5-9-20(18)22(21)23(27-24)19-12-10-17(11-13-19)16-6-2-1-3-7-16;23-22-24-19(21-20(25-22)17-11-4-5-12-18(17)26-21)16-10-6-9-15(13-16)14-7-2-1-3-8-14;23-22-24-20(17-10-9-14-5-1-2-7-16(14)13-17)19-12-11-15-6-3-4-8-18(15)21(19)25-22;21-20-22-17(14-10-5-7-12-6-1-2-8-13(12)14)19-18(23-20)15-9-3-4-11-16(15)24-19;14-12-7-6-10-8-9-16(13(10)15-12)11-4-2-1-3-5-11;13-11-8-14-10-6-7-16(12(10)15-11)9-4-2-1-3-5-9/h1-15H;1-13H;1-13H;1-11H;1-9H;1-8H
InChIKeyKOTUJEOMMJNPEN-UHFFFAOYSA-N
XLogP32.46
TPSA164.79 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.67
LogP ≤ 532.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

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
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
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-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline
CID 163855938
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-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118544103
2,4-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(4-naphthalen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 163800168
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
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 177129854
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
4-(7-phenylnaphthalen-2-yl)-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170091950

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine (CID 159196910) is 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine is Clc1ccc2ccn(-c3ccccc3)c2n1.Clc1cnc2ccn(-c3ccccc3)c2n1.Clc1nc(-c2ccc(-c3ccccc3)cc2)c2c(ccc3ccccc32)n1.Clc1nc(-c2ccc3ccccc3c2)c2ccc3ccccc3c2n1.Clc1nc(-c2cccc(-c3ccccc3)c2)c2sc3ccccc3c2n1.Clc1nc(-c2cccc3ccccc23)c2oc3ccccc3c2n1.
What is the InChIKey of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is KOTUJEOMMJNPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2.C22H13ClN2S.C22H13ClN2.C20H11ClN2O.C13H9ClN2.C12H8ClN3/c25-24-26-21-15-14-18-8-4-5-9-20(18)22(21)23(27-24)19-12-10-17(11-13-19)16-6-2-1-3-7-16;23-22-24-19(21-20(25-22)17-11-4-5-12-18(17)26-21)16-10-6-9-15(13-16)14-7-2-1-3-8-14;23-22-24-20(17-10-9-14-5-1-2-7-16(14)13-17)19-12-11-15-6-3-4-8-18(15)21(19)25-22;21-20-22-17(14-10-5-7-12-6-1-2-8-13(12)14)19-18(23-20)15-9-3-4-11-16(15)24-19;14-12-7-6-10-8-9-16(13(10)15-12)11-4-2-1-3-5-11;13-11-8-14-10-6-7-16(12(10)15-11)9-4-2-1-3-5-9/h1-15H;1-13H;1-13H;1-11H;1-9H;1-8H.
What are the key properties of 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine?
2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 1869.67 g/mol, XLogP of 32.46, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-ylbenzo[h]quinazoline;3-chloro-1-(4-phenylphenyl)benzo[f]quinazoline;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159196910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).