[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

C61H48N4OPt — CID 171056672

About [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 171056672) has the molecular formula C61H48N4OPt and a molecular weight of 1063.25 g/mol. Its IUPAC name is [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 171056672
• Molecular Formula: C61H48N4OPt
• Molecular Weight: 1063.25 g/mol
• Exact Mass: 1062.44
• IUPAC Name: [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc7c(c6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])CCC7)c6ccccc65)c4)cc2n3-c2cc(C(C)(C)C)ccn2)c([2H])c1[2H]
• InChI: InChI=1S/C61H48N4O.Pt/c1-61(2,3)46-33-34-62-58(37-46)65-54-32-29-44(41-17-7-4-8-18-41)35-53(54)51-31-30-49(39-57(51)65)66-48-25-16-24-47(38-48)63-40-64(56-28-14-13-27-55(56)63)60-52(42-19-9-5-10-20-42)36-45-23-15-26-50(45)59(60)43-21-11-6-12-22-43;/h4-14,16-22,24-25,27-39H,15,23,26H2,1-3H3;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D
• InChIKey: OERSCXYPKBNMJI-UIJFVVAJSA-N
• XLogP: 15.57
• TPSA: 36.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1063.25
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 171056672) is [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc7c(c6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])CCC7)c6ccccc65)c4)cc2n3-c2cc(C(C)(C)C)ccn2)c([2H])c1[2H].

What is the InChIKey of [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is OERSCXYPKBNMJI-UIJFVVAJSA-N. The full InChI is InChI=1S/C61H48N4O.Pt/c1-61(2,3)46-33-34-62-58(37-46)65-54-32-29-44(41-17-7-4-8-18-41)35-53(54)51-31-30-49(39-57(51)65)66-48-25-16-24-47(38-48)63-40-64(56-28-14-13-27-55(56)63)60-52(42-19-9-5-10-20-42)36-45-23-15-26-50(45)59(60)43-21-11-6-12-22-43;/h4-14,16-22,24-25,27-39H,15,23,26H2,1-3H3;/i4D,5D,6D,7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D;.

What are the key properties of [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1063.25 g/mol, XLogP of 15.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171056672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).