[1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum

C63H48N4O2Pt-2 — CID 171056703

About [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum

[1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum (PubChem CID 171056703) has the molecular formula C63H48N4O2Pt-2 and a molecular weight of 1088.18 g/mol. Its IUPAC name is [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum
• PubChem CID: 171056703
• Molecular Formula: C63H48N4O2Pt-2
• Molecular Weight: 1088.18 g/mol
• Exact Mass: 1087.34
• IUPAC Name: [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc7c(c6-c6ccccc6)CCC(=O)C7)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C63H48N4O2.Pt/c1-41-34-60(64-39-55(41)43-26-28-46(29-27-43)63(2,3)4)67-56-23-12-11-22-52(56)53-33-31-50(38-59(53)67)69-49-21-15-20-47(37-49)65-40-66(58-25-14-13-24-57(58)65)62-54(42-16-7-5-8-17-42)36-45-35-48(68)30-32-51(45)61(62)44-18-9-6-10-19-44;/h5-29,31,33-34,36,39H,30,32,35H2,1-4H3;/q-2
• InChIKey: QVKMBCNHLMUZCU-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 53.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1088.18
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum (CID 171056703) is [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc7c(c6-c6ccccc6)CCC(=O)C7)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum?

The InChIKey is QVKMBCNHLMUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N4O2.Pt/c1-41-34-60(64-39-55(41)43-26-28-46(29-27-43)63(2,3)4)67-56-23-12-11-22-52(56)53-33-31-50(38-59(53)67)69-49-21-15-20-47(37-49)65-40-66(58-25-14-13-24-57(58)65)62-54(42-16-7-5-8-17-42)36-45-35-48(68)30-32-51(45)61(62)44-18-9-6-10-19-44;/h5-29,31,33-34,36,39H,30,32,35H2,1-4H3;/q-2;.

What are the key properties of [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum?

[1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum has a molecular weight of 1088.18 g/mol, XLogP of 15.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171056703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).