[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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

C62H48N4OPt-2 — CID 171056911

About [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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 171056911) has the molecular formula C62H48N4OPt-2 and a molecular weight of 1070.23 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-[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-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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: 171056911
• Molecular Formula: C62H48N4OPt-2
• Molecular Weight: 1070.23 g/mol
• Exact Mass: 1069.41
• IUPAC Name: [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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)CCC3)c([2H])c1[2H]
• InChI: InChI=1S/C62H48N4O.Pt/c1-41-35-59(63-39-54(41)43-29-31-46(32-30-43)62(2,3)4)66-55-26-12-11-24-51(55)52-34-33-49(38-58(52)66)67-48-23-16-22-47(37-48)64-40-65(57-28-14-13-27-56(57)64)61-53(42-17-7-5-8-18-42)36-45-21-15-25-50(45)60(61)44-19-9-6-10-20-44;/h5-14,16-20,22-24,26-36,39H,15,21,25H2,1-4H3;/q-2;/i5D,6D,7D,8D,9D,10D,17D,18D,19D,20D
• InChIKey: UDRJDVUIEAWIBK-GTHQJSJOSA-N
• XLogP: 15.48
• TPSA: 36.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.23
LogP ≤ 5	15.48
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-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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 171056911) is [1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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)CCC3)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-[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 UDRJDVUIEAWIBK-GTHQJSJOSA-N. The full InChI is InChI=1S/C62H48N4O.Pt/c1-41-35-59(63-39-54(41)43-29-31-46(32-30-43)62(2,3)4)66-55-26-12-11-24-51(55)52-34-33-49(38-58(52)66)67-48-23-16-22-47(37-48)64-40-65(57-28-14-13-27-56(57)64)61-53(42-17-7-5-8-18-42)36-45-21-15-25-50(45)60(61)44-19-9-6-10-20-44;/h5-14,16-20,22-24,26-36,39H,15,21,25H2,1-4H3;/q-2;/i5D,6D,7D,8D,9D,10D,17D,18D,19D,20D;.

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-[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-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-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 1070.23 g/mol, XLogP of 15.48, 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-[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 171056911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).