3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum

C83H59N4OPt-3 — CID 170677141

About 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum

3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum (PubChem CID 170677141) has the molecular formula C83H59N4OPt-3 and a molecular weight of 1323.49 g/mol. Its IUPAC name is 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum
• PubChem CID: 170677141
• Molecular Formula: C83H59N4OPt-3
• Molecular Weight: 1323.49 g/mol
• Exact Mass: 1322.44
• IUPAC Name: 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cccc(-c8ccccc8)c7)cccc6-c6cccc(-c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3c4c(ccc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C83H59N4O.Pt/c1-82(2,3)64-48-49-84-78(52-64)87-76-47-46-71-70-38-16-17-41-73(70)83(62-32-12-6-13-33-62,63-34-14-7-15-35-63)80(71)79(76)72-45-44-67(54-77(72)87)88-66-37-22-36-65(53-66)85-55-86(75-43-19-18-42-74(75)85)81-68(60-30-20-28-58(50-60)56-24-8-4-9-25-56)39-23-40-69(81)61-31-21-29-59(51-61)57-26-10-5-11-27-57;/h4-52,55H,1-3H3;/q-3
• InChIKey: STQSVQMVEIPFGS-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1323.49
LogP ≤ 5	21.31
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 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum?

The IUPAC name of 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum (CID 170677141) is 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum.

What is the SMILES notation for 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum?

The canonical SMILES for 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cccc(-c8ccccc8)c7)cccc6-c6cccc(-c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3c4c(ccc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c1.[Pt].

What is the InChIKey of 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum?

The InChIKey is STQSVQMVEIPFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H59N4O.Pt/c1-82(2,3)64-48-49-84-78(52-64)87-76-47-46-71-70-38-16-17-41-73(70)83(62-32-12-6-13-33-62,63-34-14-7-15-35-63)80(71)79(76)72-45-44-67(54-77(72)87)88-66-37-22-36-65(53-66)85-55-86(75-43-19-18-42-74(75)85)81-68(60-30-20-28-58(50-60)56-24-8-4-9-25-56)39-23-40-69(81)61-31-21-29-59(51-61)57-26-10-5-11-27-57;/h4-52,55H,1-3H3;/q-3;.

What are the key properties of 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum?

3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum has a molecular weight of 1323.49 g/mol, XLogP of 21.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[2,6-bis(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12,12-diphenyl-4H-indeno[1,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 170677141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).