[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum

C66H51N5OPt — CID 164804195

About [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-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)-6,8-dimethylcarbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 164804195) has the molecular formula C66H51N5OPt and a molecular weight of 1135.31 g/mol. Its IUPAC name is [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-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)-6,8-dimethylcarbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 164804195
• Molecular Formula: C66H51N5OPt
• Molecular Weight: 1135.31 g/mol
• Exact Mass: 1134.44
• IUPAC Name: [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-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)cc(C)c6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C66H51N5O.Pt/c1-43-35-44(2)64-57(36-43)54-32-31-51(41-62(54)71(64)63-37-47(33-34-67-63)66(3,4)5)72-50-24-18-23-48(38-50)68-42-69(61-30-17-16-29-60(61)68)65-55(45-19-8-6-9-20-45)39-49(40-56(65)46-21-10-7-11-22-46)70-58-27-14-12-25-52(58)53-26-13-15-28-59(53)70;/h6-41H,1-5H3;/i6D,7D,8D,9D,10D,11D,19D,20D,21D,22D
• InChIKey: IOFFLVQVSWFHDH-KQINYYICSA-N
• XLogP: 17.13
• TPSA: 41.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.31
LogP ≤ 5	17.13
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)-6,8-dimethylcarbazol-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)-6,8-dimethylcarbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum (CID 164804195) is [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-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)-6,8-dimethylcarbazol-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)-6,8-dimethylcarbazol-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)cc(C)c6n(-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)-6,8-dimethylcarbazol-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 IOFFLVQVSWFHDH-KQINYYICSA-N. The full InChI is InChI=1S/C66H51N5O.Pt/c1-43-35-44(2)64-57(36-43)54-32-31-51(41-62(54)71(64)63-37-47(33-34-67-63)66(3,4)5)72-50-24-18-23-48(38-50)68-42-69(61-30-17-16-29-60(61)68)65-55(45-19-8-6-9-20-45)39-49(40-56(65)46-21-10-7-11-22-46)70-58-27-14-12-25-52(58)53-26-13-15-28-59(53)70;/h6-41H,1-5H3;/i6D,7D,8D,9D,10D,11D,19D,20D,21D,22D;.

What are the key properties of [1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-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)-6,8-dimethylcarbazol-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 1135.31 g/mol, XLogP of 17.13, 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)-6,8-dimethylcarbazol-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 164804195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).