2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C54H49F2N4OPt-3 — CID 172534127

About 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172534127) has the molecular formula C54H49F2N4OPt-3 and a molecular weight of 1003.09 g/mol. Its IUPAC name is 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172534127
• Molecular Formula: C54H49F2N4OPt-3
• Molecular Weight: 1003.09 g/mol
• Exact Mass: 1002.35
• IUPAC Name: 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CCCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CCC)ccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4c(F)cccc4F)cc3C(C)C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C54H49F2N4O.Pt/c1-7-14-36-24-25-57-52(28-36)60-48-19-10-9-16-42(48)43-23-22-40(32-51(43)60)61-41-27-37(15-8-2)26-39(31-41)58-33-59(50-21-12-11-20-49(50)58)54-44(34(3)4)29-38(30-45(54)35(5)6)53-46(55)17-13-18-47(53)56;/h9-13,16-30,33-35H,7-8,14-15H2,1-6H3;/q-3
• InChIKey: ALBYCDPIFMXACX-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.09
LogP ≤ 5	15.07
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 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172534127) is 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CCCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(CCC)ccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4c(F)cccc4F)cc3C(C)C)c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is ALBYCDPIFMXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49F2N4O.Pt/c1-7-14-36-24-25-57-52(28-36)60-48-19-10-9-16-42(48)43-23-22-40(32-51(43)60)61-41-27-37(15-8-2)26-39(31-41)58-33-59(50-21-12-11-20-49(50)58)54-44(34(3)4)29-38(30-45(54)35(5)6)53-46(55)17-13-18-47(53)56;/h9-13,16-30,33-35H,7-8,14-15H2,1-6H3;/q-3;.

What are the key properties of 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1003.09 g/mol, XLogP of 15.07, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-propylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172534127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).