2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum

C179H144N16O8Pt4-4 — CID 159004996

About 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum

2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum (PubChem CID 159004996) has the molecular formula C179H144N16O8Pt4-4 and a molecular weight of 3427.54 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum
• PubChem CID: 159004996
• Molecular Formula: C179H144N16O8Pt4-4
• Molecular Weight: 3427.54 g/mol
• Exact Mass: 3425.00
• IUPAC Name: 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4cccc5ccccc45)cc4c3oc3ccccc34)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4ccccc4-c4ccccc4)cc4c3oc3ccccc34)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC1(C)c2ccccc2-c2nc(-c3ccccc3O)nc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)c21.Cc1cc(C)c(N(c2[c-]c(-c3nc(-c4ccccc4O)nc4c3C(C)(C)c3ccccc3-4)ccc2)c2ccccn2)c(C)c1.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C53H43N4O3.C51H41N4O3.C39H33N4O.C36H27N4O.4Pt/c1-52(2,3)33-28-39(48(58)41(29-33)53(4,5)6)47-50-46(37-22-12-15-25-44(37)60-50)55-51(56-47)40-31-34(30-38-36-21-11-14-24-43(36)59-49(38)40)57(45-26-16-17-27-54-45)42-23-13-10-20-35(42)32-18-8-7-9-19-32;1-50(2,3)31-26-37(46(56)39(27-31)51(4,5)6)45-48-44(35-20-10-12-23-42(35)58-48)53-49(54-45)38-29-32(28-36-34-19-9-11-22-41(34)57-47(36)38)55(43-24-13-14-25-52-43)40-21-15-17-30-16-7-8-18-33(30)40;1-24-21-25(2)37(26(3)22-24)43(33-19-10-11-20-40-33)28-14-12-13-27(23-28)35-34-36(29-15-6-8-17-31(29)39(34,4)5)42-38(41-35)30-16-7-9-18-32(30)44;1-36(2)29-19-8-6-17-27(29)34-32(36)33(38-35(39-34)28-18-7-9-20-30(28)41)24-13-12-16-26(23-24)40(25-14-4-3-5-15-25)31-21-10-11-22-37-31;;;;/h7-30,58H,1-6H3;7-28,56H,1-6H3;6-22,44H,1-5H3;3-22,41H,1-2H3;;;;/q4*-1
• InChIKey: YAQFTXRBQVLROP-UHFFFAOYSA-N
• XLogP: 45.86
• TPSA: 301.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3427.54
LogP ≤ 5	45.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum (CID 159004996) is 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4cccc5ccccc45)cc4c3oc3ccccc34)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4ccccc4-c4ccccc4)cc4c3oc3ccccc34)nc3c2oc2ccccc23)c(O)c(C(C)(C)C)c1.CC1(C)c2ccccc2-c2nc(-c3ccccc3O)nc(-c3[c-]c(N(c4ccccc4)c4ccccn4)ccc3)c21.Cc1cc(C)c(N(c2[c-]c(-c3nc(-c4ccccc4O)nc4c3C(C)(C)c3ccccc3-4)ccc2)c2ccccn2)c(C)c1.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum?

The InChIKey is YAQFTXRBQVLROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N4O3.C51H41N4O3.C39H33N4O.C36H27N4O.4Pt/c1-52(2,3)33-28-39(48(58)41(29-33)53(4,5)6)47-50-46(37-22-12-15-25-44(37)60-50)55-51(56-47)40-31-34(30-38-36-21-11-14-24-43(36)59-49(38)40)57(45-26-16-17-27-54-45)42-23-13-10-20-35(42)32-18-8-7-9-19-32;1-50(2,3)31-26-37(46(56)39(27-31)51(4,5)6)45-48-44(35-20-10-12-23-42(35)58-48)53-49(54-45)38-29-32(28-36-34-19-9-11-22-41(34)57-47(36)38)55(43-24-13-14-25-52-43)40-21-15-17-30-16-7-8-18-33(30)40;1-24-21-25(2)37(26(3)22-24)43(33-19-10-11-20-40-33)28-14-12-13-27(23-28)35-34-36(29-15-6-8-17-31(29)39(34,4)5)42-38(41-35)30-16-7-9-18-32(30)44;1-36(2)29-19-8-6-17-27(29)34-32(36)33(38-35(39-34)28-18-7-9-20-30(28)41)24-13-12-16-26(23-24)40(25-14-4-3-5-15-25)31-21-10-11-22-37-31;;;;/h7-30,58H,1-6H3;7-28,56H,1-6H3;6-22,44H,1-5H3;3-22,41H,1-2H3;;;;/q4*-1;;;;.

What are the key properties of 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum has a molecular weight of 3427.54 g/mol, XLogP of 45.86, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum is sourced from PubChem (CID 159004996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).