3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum

C60H54N3OPt- — CID 162783110

About 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum

3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum (PubChem CID 162783110) has the molecular formula C60H54N3OPt- and a molecular weight of 1028.19 g/mol. Its IUPAC name is 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum.

Molecular Properties

• Compound Name: 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum
• PubChem CID: 162783110
• Molecular Formula: C60H54N3OPt-
• Molecular Weight: 1028.19 g/mol
• Exact Mass: 1027.39
• IUPAC Name: 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c(cc2O)CCCC4)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C60H54N3O.Pt/c1-59(2,3)48-28-29-54(51(38-48)42-18-11-8-12-19-42)63-55-23-15-22-50(57(55)62-58(63)52-35-43-20-13-14-21-44(43)37-56(52)64)46-32-47(34-49(33-46)60(4,5)6)53-36-45(30-31-61-53)41-26-24-40(25-27-41)39-16-9-7-10-17-39;/h7-12,15-19,22-31,33-38,64H,13-14,20-21H2,1-6H3;/q-1
• InChIKey: HEJKKMCVJREKQT-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.19
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum?

The IUPAC name of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum (CID 162783110) is 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum.

What is the SMILES notation for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum?

The canonical SMILES for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum is CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)[c-]c(-c2cccc3c2nc(-c2cc4c(cc2O)CCCC4)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum?

The InChIKey is HEJKKMCVJREKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N3O.Pt/c1-59(2,3)48-28-29-54(51(38-48)42-18-11-8-12-19-42)63-55-23-15-22-50(57(55)62-58(63)52-35-43-20-13-14-21-44(43)37-56(52)64)46-32-47(34-49(33-46)60(4,5)6)53-36-45(30-31-61-53)41-26-24-40(25-27-41)39-16-9-7-10-17-39;/h7-12,15-19,22-31,33-38,64H,13-14,20-21H2,1-6H3;/q-1;.

What are the key properties of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum?

3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum has a molecular weight of 1028.19 g/mol, XLogP of 15.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;platinum is sourced from PubChem (CID 162783110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).