1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum

C63H45N4OPt- — CID 162465359

About 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum

1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum (PubChem CID 162465359) has the molecular formula C63H45N4OPt- and a molecular weight of 1069.16 g/mol. Its IUPAC name is 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum.

Molecular Properties

• Compound Name: 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum
• PubChem CID: 162465359
• Molecular Formula: C63H45N4OPt-
• Molecular Weight: 1069.16 g/mol
• Exact Mass: 1068.32
• IUPAC Name: 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum
• SMILES: CC(C)N1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C63H44N4O.Pt/c1-42(2)66-58-33-15-16-34-59(58)67(68-66)48-24-17-23-46(40-48)63(55-30-12-9-25-51(55)52-26-10-13-31-56(52)63)47-35-36-54-53-27-11-14-32-57(53)65(60(54)41-47)61-39-45(37-38-64-61)62-49(43-19-5-3-6-20-43)28-18-29-50(62)44-21-7-4-8-22-44;/h3-39,42H,1-2H3;/q-2;/p+1
• InChIKey: HQMYXQDZBHBXBM-UHFFFAOYSA-O
• XLogP: 15.35
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.16
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

The IUPAC name of 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum (CID 162465359) is 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum.

What is the SMILES notation for 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

The canonical SMILES for 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum is CC(C)N1[OH+]N(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

The InChIKey is HQMYXQDZBHBXBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C63H44N4O.Pt/c1-42(2)66-58-33-15-16-34-59(58)67(68-66)48-24-17-23-46(40-48)63(55-30-12-9-25-51(55)52-26-10-13-31-56(52)63)47-35-36-54-53-27-11-14-32-57(53)65(60(54)41-47)61-39-45(37-38-64-61)62-49(43-19-5-3-6-20-43)28-18-29-50(62)44-21-7-4-8-22-44;/h3-39,42H,1-2H3;/q-2;/p+1.

What are the key properties of 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum?

1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum has a molecular weight of 1069.16 g/mol, XLogP of 15.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[9-[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum is sourced from PubChem (CID 162465359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).