[1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C60H54N4OPt-2 — CID 169066460

About [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169066460) has the molecular formula C60H54N4OPt-2 and a molecular weight of 1042.20 g/mol. Its IUPAC name is [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 169066460
• Molecular Formula: C60H54N4OPt-2
• Molecular Weight: 1042.20 g/mol
• Exact Mass: 1041.40
• IUPAC Name: [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1ccnc(N2CCCc3c2[c-]c(Oc2[c-]c(-n4c(=[Pt])n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)ccc2)cc3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C60H54N4O.Pt/c1-41-30-31-61-57(33-41)62-32-18-27-52-53(44-34-45(59(2,3)4)36-46(35-44)60(5,6)7)38-49(39-56(52)62)65-48-24-16-23-47(37-48)63-40-64(55-29-15-14-28-54(55)63)58-50(42-19-10-8-11-20-42)25-17-26-51(58)43-21-12-9-13-22-43;/h8-17,19-26,28-31,33-36,38H,18,27,32H2,1-7H3;/q-2
• InChIKey: KVGOHLOFKAIPAD-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.20
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169066460) is [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1ccnc(N2CCCc3c2[c-]c(Oc2[c-]c(-n4c(=[Pt])n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)ccc2)cc3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.

What is the InChIKey of [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is KVGOHLOFKAIPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4O.Pt/c1-41-30-31-61-57(33-41)62-32-18-27-52-53(44-34-45(59(2,3)4)36-46(35-44)60(5,6)7)38-49(39-56(52)62)65-48-24-16-23-47(37-48)63-40-64(55-29-15-14-28-54(55)63)58-50(42-19-10-8-11-20-42)25-17-26-51(58)43-21-12-9-13-22-43;/h8-17,19-26,28-31,33-36,38H,18,27,32H2,1-7H3;/q-2;.

What are the key properties of [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1042.20 g/mol, XLogP of 15.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[5-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-2,3,4,8-tetrahydroquinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).