2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum

C179H159N17O8Pt4-4 — CID 157081365

About 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum (PubChem CID 157081365) has the molecular formula C179H159N17O8Pt4-4 and a molecular weight of 3456.66 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum
• PubChem CID: 157081365
• Molecular Formula: C179H159N17O8Pt4-4
• Molecular Weight: 3456.66 g/mol
• Exact Mass: 3454.12
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccc4)c4ccccn4)cc4ccccc34)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4cccc5ccccc45)ccc3)c3c(n2)oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4ccccc4-c4ccccc4)ccc3)c3c(n2)oc2ccccc23)c(O)c(C(C)(C)C)c1.Cc1ccnc(C)c1N(c1[c-]c(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3oc4ccccc4c23)ccc1)c1ccccn1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C47H41N4O2.2C45H39N4O2.C42H40N5O2.4Pt/c1-46(2,3)32-28-36(43(52)37(29-32)47(4,5)6)44-49-42(41-35-22-11-13-24-39(35)53-45(41)50-44)31-19-16-20-33(27-31)51(40-25-14-15-26-48-40)38-23-12-10-21-34(38)30-17-8-7-9-18-30;1-44(2,3)30-26-34(41(50)35(27-30)45(4,5)6)42-47-40(39-33-20-9-10-22-37(33)51-43(39)48-42)29-17-13-18-31(25-29)49(38-23-11-12-24-46-38)36-21-14-16-28-15-7-8-19-32(28)36;1-44(2,3)29-25-35(41(50)36(26-29)45(4,5)6)40-42-39(33-20-12-13-21-37(33)51-42)47-43(48-40)34-27-31(24-28-16-10-11-19-32(28)34)49(30-17-8-7-9-18-30)38-22-14-15-23-46-38;1-25-19-21-43-26(2)37(25)47(34-18-11-12-20-44-34)29-15-13-14-27(22-29)36-35-30-16-9-10-17-33(30)49-40(35)46-39(45-36)31-23-28(41(3,4)5)24-32(38(31)48)42(6,7)8;;;;/h7-26,28-29,52H,1-6H3;7-24,26-27,50H,1-6H3;7-26,50H,1-6H3;9-21,23-24,48H,1-8H3;;;;/q4*-1
• InChIKey: IDDPQWQKYKSLPC-UHFFFAOYSA-N
• XLogP: 46.68
• TPSA: 314.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3456.66
LogP ≤ 5	46.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum (CID 157081365) is 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccc4)c4ccccn4)cc4ccccc34)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4cccc5ccccc45)ccc3)c3c(n2)oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4ccccc4-c4ccccc4)ccc3)c3c(n2)oc2ccccc23)c(O)c(C(C)(C)C)c1.Cc1ccnc(C)c1N(c1[c-]c(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3oc4ccccc4c23)ccc1)c1ccccn1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum?

The InChIKey is IDDPQWQKYKSLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N4O2.2C45H39N4O2.C42H40N5O2.4Pt/c1-46(2,3)32-28-36(43(52)37(29-32)47(4,5)6)44-49-42(41-35-22-11-13-24-39(35)53-45(41)50-44)31-19-16-20-33(27-31)51(40-25-14-15-26-48-40)38-23-12-10-21-34(38)30-17-8-7-9-18-30;1-44(2,3)30-26-34(41(50)35(27-30)45(4,5)6)42-47-40(39-33-20-9-10-22-37(33)51-43(39)48-42)29-17-13-18-31(25-29)49(38-23-11-12-24-46-38)36-21-14-16-28-15-7-8-19-32(28)36;1-44(2,3)29-25-35(41(50)36(26-29)45(4,5)6)40-42-39(33-20-12-13-21-37(33)51-42)47-43(48-40)34-27-31(24-28-16-10-11-19-32(28)34)49(30-17-8-7-9-18-30)38-22-14-15-23-46-38;1-25-19-21-43-26(2)37(25)47(34-18-11-12-20-44-34)29-15-13-14-27(22-29)36-35-30-16-9-10-17-33(30)49-40(35)46-39(45-36)31-23-28(41(3,4)5)24-32(38(31)48)42(6,7)8;;;;/h7-26,28-29,52H,1-6H3;7-24,26-27,50H,1-6H3;7-26,50H,1-6H3;9-21,23-24,48H,1-8H3;;;;/q4*-1;;;;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum has a molecular weight of 3456.66 g/mol, XLogP of 46.68, 21 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenol;2,4-ditert-butyl-6-[2-[3-(N-pyridin-2-ylanilino)-2H-naphthalen-2-id-1-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;platinum is sourced from PubChem (CID 157081365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).