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

C65H49N5OPt — CID 164804295

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

[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 164804295) has the molecular formula C65H49N5OPt and a molecular weight of 1124.30 g/mol. Its IUPAC name is [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 164804295
• Molecular Formula: C65H49N5OPt
• Molecular Weight: 1124.30 g/mol
• Exact Mass: 1123.44
• IUPAC Name: [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc(C([2H])([2H])[2H])ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C65H49N5O.Pt/c1-43-30-33-59-56(36-43)53-32-31-50(41-62(53)70(59)63-37-46(34-35-66-63)65(2,3)4)71-49-23-17-22-47(38-49)67-42-68(61-29-16-15-28-60(61)67)64-54(44-18-7-5-8-19-44)39-48(40-55(64)45-20-9-6-10-21-45)69-57-26-13-11-24-51(57)52-25-12-14-27-58(52)69;/h5-41H,1-4H3;/i1D3,5D,6D,7D,8D,9D,10D,18D,19D,20D,21D
• InChIKey: ZKOOUTMGEMVXOZ-LIZMUJEZSA-N
• XLogP: 16.82
• TPSA: 41.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.30
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (CID 164804295) is [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum.

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

The canonical SMILES for [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc(C([2H])([2H])[2H])ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H].

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

The InChIKey is ZKOOUTMGEMVXOZ-LIZMUJEZSA-N. The full InChI is InChI=1S/C65H49N5O.Pt/c1-43-30-33-59-56(36-43)53-32-31-50(41-62(53)70(59)63-37-46(34-35-66-63)65(2,3)4)71-49-23-17-22-47(38-49)67-42-68(61-29-16-15-28-60(61)67)64-54(44-18-7-5-8-19-44)39-48(40-55(64)45-20-9-6-10-21-45)69-57-26-13-11-24-51(57)52-25-12-14-27-58(52)69;/h5-41H,1-4H3;/i1D3,5D,6D,7D,8D,9D,10D,18D,19D,20D,21D;.

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

[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1124.30 g/mol, XLogP of 16.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(trideuteriomethyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 164804295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).