N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))

C218H156N10O6Pt5S — CID 158988554

About N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))

N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+)) (PubChem CID 158988554) has the molecular formula C218H156N10O6Pt5S and a molecular weight of 4019.17 g/mol. Its IUPAC name is N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+)).

Molecular Properties

• Compound Name: N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))
• PubChem CID: 158988554
• Molecular Formula: C218H156N10O6Pt5S
• Molecular Weight: 4019.17 g/mol
• Exact Mass: 4016.02
• IUPAC Name: N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))
• SMILES: CC(C)(C)c1cc(-c2[c-]cc3ccccc3c2)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.CC(C)(C)c1cc(-c2[c-]ccc3c2oc2ccccc23)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.CC(C)(C)c1cc(-c2[c-]ccc3c2sc2ccccc23)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.CC(C)(C)c1cc(-c2[c-]ccc3ccccc23)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.Cc1ccc(C)c(-c2c[c-]c(-c3cc(C(C)(C)C)cc4oc(-c5ccccc5/N=C/c5cc6ccccc6c6ccc[c-]c56)nc34)cc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C46H36N2O.C44H30N2O2.C44H30N2OS.2C42H30N2O.5Pt/c1-29-18-19-30(2)40(24-29)31-20-22-32(23-21-31)41-26-35(46(3,4)5)27-43-44(41)48-45(49-43)39-16-10-11-17-42(39)47-28-34-25-33-12-6-7-13-36(33)38-15-9-8-14-37(34)38;1-44(2,3)29-24-37(35-20-12-19-34-33-17-9-11-22-39(33)47-42(34)35)41-40(25-29)48-43(46-41)36-18-8-10-21-38(36)45-26-28-23-27-13-4-5-14-30(27)32-16-7-6-15-31(28)32;1-44(2,3)29-24-37(35-20-12-19-34-33-17-9-11-22-40(33)48-42(34)35)41-39(25-29)47-43(46-41)36-18-8-10-21-38(36)45-26-28-23-27-13-4-5-14-30(27)32-16-7-6-15-31(28)32;1-42(2,3)30-24-37(35-21-12-15-27-13-4-6-16-31(27)35)40-39(25-30)45-41(44-40)36-20-10-11-22-38(36)43-26-29-23-28-14-5-7-17-32(28)34-19-9-8-18-33(29)34;1-42(2,3)32-24-37(30-21-20-27-12-4-5-13-28(27)22-30)40-39(25-32)45-41(44-40)36-18-10-11-19-38(36)43-26-31-23-29-14-6-7-15-33(29)35-17-9-8-16-34(31)35;;;;;/h6-13,15-22,24-28H,1-5H3;2*4-14,16-19,21-26H,1-3H3;4-17,19-20,22-26H,1-3H3;4-15,17-20,22-26H,1-3H3;;;;;/q5*-2;5*+2/b47-28+;2*45-26+;2*43-26+
• InChIKey: YAAMZEXCCMZZTG-YGMXRDTDSA-N
• XLogP: 59.43
• TPSA: 205.09 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4019.17
LogP ≤ 5	59.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))?

The IUPAC name of N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+)) (CID 158988554) is N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+)).

What is the SMILES notation for N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))?

The canonical SMILES for N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+)) is CC(C)(C)c1cc(-c2[c-]cc3ccccc3c2)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.CC(C)(C)c1cc(-c2[c-]ccc3c2oc2ccccc23)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.CC(C)(C)c1cc(-c2[c-]ccc3c2sc2ccccc23)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.CC(C)(C)c1cc(-c2[c-]ccc3ccccc23)c2nc(-c3ccccc3/N=C/c3cc4ccccc4c4ccc[c-]c34)oc2c1.Cc1ccc(C)c(-c2c[c-]c(-c3cc(C(C)(C)C)cc4oc(-c5ccccc5/N=C/c5cc6ccccc6c6ccc[c-]c56)nc34)cc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))?

The InChIKey is YAAMZEXCCMZZTG-YGMXRDTDSA-N. The full InChI is InChI=1S/C46H36N2O.C44H30N2O2.C44H30N2OS.2C42H30N2O.5Pt/c1-29-18-19-30(2)40(24-29)31-20-22-32(23-21-31)41-26-35(46(3,4)5)27-43-44(41)48-45(49-43)39-16-10-11-17-42(39)47-28-34-25-33-12-6-7-13-36(33)38-15-9-8-14-37(34)38;1-44(2,3)29-24-37(35-20-12-19-34-33-17-9-11-22-39(33)47-42(34)35)41-40(25-29)48-43(46-41)36-18-8-10-21-38(36)45-26-28-23-27-13-4-5-14-30(27)32-16-7-6-15-31(28)32;1-44(2,3)29-24-37(35-20-12-19-34-33-17-9-11-22-40(33)48-42(34)35)41-39(25-29)47-43(46-41)36-18-8-10-21-38(36)45-26-28-23-27-13-4-5-14-30(27)32-16-7-6-15-31(28)32;1-42(2,3)30-24-37(35-21-12-15-27-13-4-6-16-31(27)35)40-39(25-30)45-41(44-40)36-20-10-11-22-38(36)43-26-29-23-28-14-5-7-17-32(28)34-19-9-8-18-33(29)34;1-42(2,3)32-24-37(30-21-20-27-12-4-5-13-28(27)22-30)40-39(25-32)45-41(44-40)36-18-10-11-19-38(36)43-26-31-23-29-14-6-7-15-33(29)35-17-9-8-16-34(31)35;;;;;/h6-13,15-22,24-28H,1-5H3;2*4-14,16-19,21-26H,1-3H3;4-17,19-20,22-26H,1-3H3;4-15,17-20,22-26H,1-3H3;;;;;/q5*-2;5*+2/b47-28+;2*45-26+;2*43-26+;;;;;.

What are the key properties of N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+))?

N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+)) has a molecular weight of 4019.17 g/mol, XLogP of 59.43, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-dibenzothiophen-3-id-4-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-[4-(2,5-dimethylphenyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[6-tert-butyl-4-(3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;pentakis(platinum(2+)) is sourced from PubChem (CID 158988554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).