2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol

C146H123N13O9Pt4S-4 — CID 159104017

About 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol

2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol (PubChem CID 159104017) has the molecular formula C146H123N13O9Pt4S-4 and a molecular weight of 3016.05 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol
• PubChem CID: 159104017
• Molecular Formula: C146H123N13O9Pt4S-4
• Molecular Weight: 3016.05 g/mol
• Exact Mass: 3013.79
• IUPAC Name: 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2nc(-c3[c-]c(C(C)(c4ccccc4)c4ccccn4)ccc3)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(Oc4ccccn4)ccc3)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(Sc4ccccn4)ccc3)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.Oc1ccccc1-c1nc(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)nc2c1oc1ccccc12.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C43H40N3O2.C35H32N3O3.C35H32N3O2S.C33H19N4O2.4Pt/c1-41(2,3)30-25-32(38(47)33(26-30)42(4,5)6)37-39-36(31-20-11-12-21-34(31)48-39)45-40(46-37)27-16-15-19-29(24-27)43(7,28-17-9-8-10-18-28)35-22-13-14-23-44-35;1-34(2,3)22-19-25(31(39)26(20-22)35(4,5)6)30-32-29(24-14-7-8-15-27(24)41-32)37-33(38-30)21-12-11-13-23(18-21)40-28-16-9-10-17-36-28;1-34(2,3)22-19-25(31(39)26(20-22)35(4,5)6)30-32-29(24-14-7-8-15-27(24)40-32)37-33(38-30)21-12-11-13-23(18-21)41-28-16-9-10-17-36-28;38-27-16-5-2-12-24(27)29-31-30(25-13-3-6-17-28(25)39-31)36-32(35-29)20-9-7-10-21(19-20)37-26-15-4-1-11-22(26)23-14-8-18-34-33(23)37;;;;/h8-23,25-26,47H,1-7H3;2*7-17,19-20,39H,1-6H3;1-18,38H;;;;/q4*-1
• InChIKey: FBMZSNIWQHTMSA-UHFFFAOYSA-N
• XLogP: 36.61
• TPSA: 302.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3016.05
LogP ≤ 5	36.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol (CID 159104017) is 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol is CC(C)(C)c1cc(-c2nc(-c3[c-]c(C(C)(c4ccccc4)c4ccccn4)ccc3)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(Oc4ccccn4)ccc3)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(Sc4ccccn4)ccc3)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.Oc1ccccc1-c1nc(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)nc2c1oc1ccccc12.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

The InChIKey is FBMZSNIWQHTMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N3O2.C35H32N3O3.C35H32N3O2S.C33H19N4O2.4Pt/c1-41(2,3)30-25-32(38(47)33(26-30)42(4,5)6)37-39-36(31-20-11-12-21-34(31)48-39)45-40(46-37)27-16-15-19-29(24-27)43(7,28-17-9-8-10-18-28)35-22-13-14-23-44-35;1-34(2,3)22-19-25(31(39)26(20-22)35(4,5)6)30-32-29(24-14-7-8-15-27(24)41-32)37-33(38-30)21-12-11-13-23(18-21)40-28-16-9-10-17-36-28;1-34(2,3)22-19-25(31(39)26(20-22)35(4,5)6)30-32-29(24-14-7-8-15-27(24)40-32)37-33(38-30)21-12-11-13-23(18-21)41-28-16-9-10-17-36-28;38-27-16-5-2-12-24(27)29-31-30(25-13-3-6-17-28(25)39-31)36-32(35-29)20-9-7-10-21(19-20)37-26-15-4-1-11-22(26)23-14-8-18-34-33(23)37;;;;/h8-23,25-26,47H,1-7H3;2*7-17,19-20,39H,1-6H3;1-18,38H;;;;/q4*-1;;;;.

What are the key properties of 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol has a molecular weight of 3016.05 g/mol, XLogP of 36.61, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[2-[3-(1-phenyl-1-pyridin-2-ylethyl)benzene-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 159104017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).