2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol

C152H94N16O12S10Se4 — CID 159022841

About 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol

2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol (PubChem CID 159022841) has the molecular formula C152H94N16O12S10Se4 and a molecular weight of 2973.03 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol
• PubChem CID: 159022841
• Molecular Formula: C152H94N16O12S10Se4
• Molecular Weight: 2973.03 g/mol
• Exact Mass: 2974.11
• IUPAC Name: 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol
• SMILES: Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)[se]c3cc2[se]1.Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)n(-c4ccccc4)c3cc2n1-c1ccccc1.Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)oc3cc2o1.Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)sc3cc2s1.Sc1ccccc1-c1nc2cc3nc(-c4ccccc4S)[se]c3cc2[se]1.Sc1ccccc1-c1nc2cc3nc(-c4ccccc4S)oc3cc2o1.Sc1ccccc1-c1nc2cc3nc(-c4ccccc4S)sc3cc2s1
• InChI: InChI=1S/C32H22N4O2.C20H12N2O4.2C20H12N2O2S2.C20H12N2O2Se2.C20H12N2S4.C20H12N2S2Se2/c37-29-17-9-7-15-23(29)31-33-25-19-26-28(20-27(25)35(31)21-11-3-1-4-12-21)36(22-13-5-2-6-14-22)32(34-26)24-16-8-10-18-30(24)38;23-15-7-3-1-5-11(15)19-21-13-9-14-18(10-17(13)25-19)26-20(22-14)12-6-2-4-8-16(12)24;25-17-7-3-1-5-11(17)19-21-13-9-14-16(10-15(13)23-19)24-20(22-14)12-6-2-4-8-18(12)26;4*23-15-7-3-1-5-11(15)19-21-13-9-14-18(10-17(13)25-19)26-20(22-14)12-6-2-4-8-16(12)24/h1-20,37-38H;1-10,23-24H;1-10,25-26H;4*1-10,23-24H
• InChIKey: JTXKFGWQMAAFEB-UHFFFAOYSA-N
• XLogP: 38.62
• TPSA: 404.72 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2973.03
LogP ≤ 5	38.62
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol?

The IUPAC name of 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol (CID 159022841) is 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol.

What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol?

The canonical SMILES for 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol is Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)[se]c3cc2[se]1.Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)n(-c4ccccc4)c3cc2n1-c1ccccc1.Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)oc3cc2o1.Oc1ccccc1-c1nc2cc3nc(-c4ccccc4O)sc3cc2s1.Sc1ccccc1-c1nc2cc3nc(-c4ccccc4S)[se]c3cc2[se]1.Sc1ccccc1-c1nc2cc3nc(-c4ccccc4S)oc3cc2o1.Sc1ccccc1-c1nc2cc3nc(-c4ccccc4S)sc3cc2s1.

What is the InChIKey of 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol?

The InChIKey is JTXKFGWQMAAFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O2.C20H12N2O4.2C20H12N2O2S2.C20H12N2O2Se2.C20H12N2S4.C20H12N2S2Se2/c37-29-17-9-7-15-23(29)31-33-25-19-26-28(20-27(25)35(31)21-11-3-1-4-12-21)36(22-13-5-2-6-14-22)32(34-26)24-16-8-10-18-30(24)38;23-15-7-3-1-5-11(15)19-21-13-9-14-18(10-17(13)25-19)26-20(22-14)12-6-2-4-8-16(12)24;25-17-7-3-1-5-11(17)19-21-13-9-14-16(10-15(13)23-19)24-20(22-14)12-6-2-4-8-18(12)26;4*23-15-7-3-1-5-11(15)19-21-13-9-14-18(10-17(13)25-19)26-20(22-14)12-6-2-4-8-16(12)24/h1-20,37-38H;1-10,23-24H;1-10,25-26H;4*1-10,23-24H.

What are the key properties of 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol?

2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol has a molecular weight of 2973.03 g/mol, XLogP of 38.62, 16 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxyphenyl)-1,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]phenol;2-[2-(2-hydroxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenol;2-[2-(2-sulfanylphenyl)-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]selenazolo[4,5-f][1,3]benzoselenazol-6-yl]benzenethiol;2-[2-(2-sulfanylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzenethiol is sourced from PubChem (CID 159022841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).