1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

C55H31F2N5OPt — CID 176643511

About 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (PubChem CID 176643511) has the molecular formula C55H31F2N5OPt and a molecular weight of 1010.96 g/mol. Its IUPAC name is 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
• PubChem CID: 176643511
• Molecular Formula: C55H31F2N5OPt
• Molecular Weight: 1010.96 g/mol
• Exact Mass: 1010.21
• IUPAC Name: 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
• SMILES: FC(F)(c1ccccc1)c1cccc2[n-]c3c(-c4nc5c(-c6[c-]c7c(cc6)c6ccccc6n7-c6nccc7c6oc6ccccc67)cccc5n4-c4ccccc4)cccc3c12.[Pt+2]
• InChI: InChI=1S/C55H31F2N5O.Pt/c56-55(57,34-14-3-1-4-15-34)43-23-13-24-44-49(43)41-21-11-22-42(50(41)59-44)53-60-51-36(20-12-26-46(51)61(53)35-16-5-2-6-17-35)33-28-29-38-37-18-7-9-25-45(37)62(47(38)32-33)54-52-40(30-31-58-54)39-19-8-10-27-48(39)63-52;/h1-31H;/q-2;+2
• InChIKey: KPMJDTBOTFXYPT-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 62.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.96
LogP ≤ 5	13.95
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 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

The IUPAC name of 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (CID 176643511) is 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).

What is the SMILES notation for 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

The canonical SMILES for 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is FC(F)(c1ccccc1)c1cccc2[n-]c3c(-c4nc5c(-c6[c-]c7c(cc6)c6ccccc6n7-c6nccc7c6oc6ccccc67)cccc5n4-c4ccccc4)cccc3c12.[Pt+2].

What is the InChIKey of 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

The InChIKey is KPMJDTBOTFXYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31F2N5O.Pt/c56-55(57,34-14-3-1-4-15-34)43-23-13-24-44-49(43)41-21-11-22-42(50(41)59-44)53-60-51-36(20-12-26-46(51)61(53)35-16-5-2-6-17-35)33-28-29-38-37-18-7-9-25-45(37)62(47(38)32-33)54-52-40(30-31-58-54)39-19-8-10-27-48(39)63-52;/h1-31H;/q-2;+2.

What are the key properties of 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?

1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) has a molecular weight of 1010.96 g/mol, XLogP of 13.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[5-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-1-phenylbenzimidazol-4-yl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is sourced from PubChem (CID 176643511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).