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

C65H49N5OPt — CID 164804241

About [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-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)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 164804241) has the molecular formula C65H49N5OPt and a molecular weight of 1121.28 g/mol. Its IUPAC name is [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-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)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 164804241
• Molecular Formula: C65H49N5OPt
• Molecular Weight: 1121.28 g/mol
• Exact Mass: 1120.42
• IUPAC Name: [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-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(-c3cc(C)cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C65H49N5O.Pt/c1-43-35-47(38-50(36-43)71-49-31-32-54-53-25-13-16-28-59(53)70(62(54)41-49)63-37-46(33-34-66-63)65(2,3)4)67-42-68(61-30-18-17-29-60(61)67)64-55(44-19-7-5-8-20-44)39-48(40-56(64)45-21-9-6-10-22-45)69-57-26-14-11-23-51(57)52-24-12-15-27-58(52)69;/h5-41H,1-4H3;/i5D,6D,7D,8D,9D,10D,19D,20D,21D,22D
• InChIKey: RBGMGWAATPFEMY-DOBLHRHRSA-N
• XLogP: 16.82
• TPSA: 41.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1121.28
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)carbazol-2-yl]oxy-5-methylphenyl]-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)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (CID 164804241) is [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-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)carbazol-2-yl]oxy-5-methylphenyl]-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)carbazol-2-yl]oxy-5-methylphenyl]-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(-c3cc(C)cc(Oc4ccc5c6ccccc6n(-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)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is RBGMGWAATPFEMY-DOBLHRHRSA-N. The full InChI is InChI=1S/C65H49N5O.Pt/c1-43-35-47(38-50(36-43)71-49-31-32-54-53-25-13-16-28-59(53)70(62(54)41-49)63-37-46(33-34-66-63)65(2,3)4)67-42-68(61-30-18-17-29-60(61)67)64-55(44-19-7-5-8-20-44)39-48(40-56(64)45-21-9-6-10-22-45)69-57-26-14-11-23-51(57)52-24-12-15-27-58(52)69;/h5-41H,1-4H3;/i5D,6D,7D,8D,9D,10D,19D,20D,21D,22D;.

What are the key properties of [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-methylphenyl]-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)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1121.28 g/mol, XLogP of 16.82, 8 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)carbazol-2-yl]oxy-5-methylphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 164804241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).