2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine

C103H56Cl3N13S4 — CID 162161171

About 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine

2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 162161171) has the molecular formula C103H56Cl3N13S4 and a molecular weight of 1710.30 g/mol. Its IUPAC name is 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 162161171
• Molecular Formula: C103H56Cl3N13S4
• Molecular Weight: 1710.30 g/mol
• Exact Mass: 1707.27
• IUPAC Name: 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: Clc1nc(-c2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc4ccccc34)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc(-c3nc(-c4cccc5ncccc45)nc4cc5ccccc5cc34)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2)c2sc3ccccc3c2n1
• InChI: InChI=1S/C37H20ClN5S.C36H19ClN4S2.C30H17ClN4S/c38-37-42-33(35-34(43-37)27-9-3-4-13-31(27)44-35)22-16-14-21(15-17-22)32-28-19-23-7-1-2-8-24(23)20-30(28)40-36(41-32)26-10-5-12-29-25(26)11-6-18-39-29;37-36-40-32(34-33(41-36)26-9-3-6-12-29(26)43-34)21-15-13-20(14-16-21)31-25-8-1-4-10-27(25)38-35(39-31)22-17-18-24-23-7-2-5-11-28(23)42-30(24)19-22;31-30-34-26(28-27(35-30)22-11-5-7-13-24(22)36-28)19-14-16-20(17-15-19)29-32-23-12-6-4-10-21(23)25(33-29)18-8-2-1-3-9-18/h1-20H;1-19H;1-17H
• InChIKey: ZMMSEIMJPIYDQF-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 167.57 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.30
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine (CID 162161171) is 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine is Clc1nc(-c2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc4ccccc34)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc(-c3nc(-c4cccc5ncccc45)nc4cc5ccccc5cc34)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2)c2sc3ccccc3c2n1.

What is the InChIKey of 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is ZMMSEIMJPIYDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20ClN5S.C36H19ClN4S2.C30H17ClN4S/c38-37-42-33(35-34(43-37)27-9-3-4-13-31(27)44-35)22-16-14-21(15-17-22)32-28-19-23-7-1-2-8-24(23)20-30(28)40-36(41-32)26-10-5-12-29-25(26)11-6-18-39-29;37-36-40-32(34-33(41-36)26-9-3-6-12-29(26)43-34)21-15-13-20(14-16-21)31-25-8-1-4-10-27(25)38-35(39-31)22-17-18-24-23-7-2-5-11-28(23)42-30(24)19-22;31-30-34-26(28-27(35-30)22-11-5-7-13-24(22)36-28)19-14-16-20(17-15-19)29-32-23-12-6-4-10-21(23)25(33-29)18-8-2-1-3-9-18/h1-20H;1-19H;1-17H.

What are the key properties of 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1710.30 g/mol, XLogP of 29.40, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 162161171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).