3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum

C76H59N5OPt-2 — CID 165169309

About 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum

3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum (PubChem CID 165169309) has the molecular formula C76H59N5OPt-2 and a molecular weight of 1263.48 g/mol. Its IUPAC name is 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum.

Molecular Properties

• Compound Name: 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum
• PubChem CID: 165169309
• Molecular Formula: C76H59N5OPt-2
• Molecular Weight: 1263.48 g/mol
• Exact Mass: 1262.50
• IUPAC Name: 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc4c(cc32)C(C)(C)c2ccccc2C4(C)C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C76H59N5O.Pt/c1-74(2,3)51-40-41-77-72(42-51)81-66-39-21-16-32-58(66)59-44-70(80-64-37-19-14-30-56(64)57-31-15-20-38-65(57)80)71(47-67(59)81)82-53-29-22-28-52(43-53)78-48-79(73-54(49-24-10-8-11-25-49)33-23-34-55(73)50-26-12-9-13-27-50)69-46-63-62(45-68(69)78)75(4,5)60-35-17-18-36-61(60)76(63,6)7;/h8-42,44-46H,1-7H3;/q-2;/i8D,9D,10D,11D,12D,13D,24D,25D,26D,27D
• InChIKey: XQMSLKQPVBFELK-IJAJIIDNSA-N
• XLogP: 18.28
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1263.48
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum?

The IUPAC name of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum (CID 165169309) is 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum.

What is the SMILES notation for 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum?

The canonical SMILES for 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4-n4c6ccccc6c6ccccc64)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3cc4c(cc32)C(C)(C)c2ccccc2C4(C)C)c([2H])c1[2H].[Pt].

What is the InChIKey of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum?

The InChIKey is XQMSLKQPVBFELK-IJAJIIDNSA-N. The full InChI is InChI=1S/C76H59N5O.Pt/c1-74(2,3)51-40-41-77-72(42-51)81-66-39-21-16-32-58(66)59-44-70(80-64-37-19-14-30-56(64)57-31-15-20-38-65(57)80)71(47-67(59)81)82-53-29-22-28-52(43-53)78-48-79(73-54(49-24-10-8-11-25-49)33-23-34-55(73)50-26-12-9-13-27-50)69-46-63-62(45-68(69)78)75(4,5)60-35-17-18-36-61(60)76(63,6)7;/h8-42,44-46H,1-7H3;/q-2;/i8D,9D,10D,11D,12D,13D,24D,25D,26D,27D;.

What are the key properties of 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum?

3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum has a molecular weight of 1263.48 g/mol, XLogP of 18.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[[9-(4-tert-butyl-2-pyridinyl)-3-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,5,10,10-tetramethyl-2H-naphtho[2,3-f]benzimidazol-3-ium-2-ide;platinum is sourced from PubChem (CID 165169309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).