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

C63H50N4OPt-2 — CID 171056837

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

[1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 171056837) has the molecular formula C63H50N4OPt-2 and a molecular weight of 1084.26 g/mol. Its IUPAC name is [1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• PubChem CID: 171056837
• Molecular Formula: C63H50N4OPt-2
• Molecular Weight: 1084.26 g/mol
• Exact Mass: 1083.43
• IUPAC Name: [1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc3c(c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c2-n2c(=[Pt])n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C)c(-c6ccc(C(C)(C)C)cc6)cn5)ccc4)c4ccccc42)CCCC3)c([2H])c1[2H]
• InChI: InChI=1S/C63H50N4O.Pt/c1-42-36-60(64-40-55(42)44-30-32-47(33-31-44)63(2,3)4)67-56-27-14-13-26-52(56)53-35-34-50(39-59(53)67)68-49-24-17-23-48(38-49)65-41-66(58-29-16-15-28-57(58)65)62-54(43-18-7-5-8-19-43)37-46-22-11-12-25-51(46)61(62)45-20-9-6-10-21-45;/h5-10,13-21,23-24,26-37,40H,11-12,22,25H2,1-4H3;/q-2;/i5D,6D,7D,8D,9D,10D,18D,19D,20D,21D
• InChIKey: VOUCNPSSTCBLRE-ZLOKOWAISA-N
• XLogP: 15.87
• TPSA: 36.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.26
LogP ≤ 5	15.87
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-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 171056837) is [1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

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

The canonical SMILES for [1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2cc3c(c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c2-n2c(=[Pt])n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C)c(-c6ccc(C(C)(C)C)cc6)cn5)ccc4)c4ccccc42)CCCC3)c([2H])c1[2H].

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

The InChIKey is VOUCNPSSTCBLRE-ZLOKOWAISA-N. The full InChI is InChI=1S/C63H50N4O.Pt/c1-42-36-60(64-40-55(42)44-30-32-47(33-31-44)63(2,3)4)67-56-27-14-13-26-52(56)53-35-34-50(39-59(53)67)68-49-24-17-23-48(38-49)65-41-66(58-29-16-15-28-57(58)65)62-54(43-18-7-5-8-19-43)37-46-22-11-12-25-51(46)61(62)45-20-9-6-10-21-45;/h5-10,13-21,23-24,26-37,40H,11-12,22,25H2,1-4H3;/q-2;/i5D,6D,7D,8D,9D,10D,18D,19D,20D,21D;.

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

[1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 1084.26 g/mol, XLogP of 15.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171056837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).