3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C46H29FN3OPt- — CID 176614228

About 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 176614228) has the molecular formula C46H29FN3OPt- and a molecular weight of 853.83 g/mol. Its IUPAC name is 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 176614228
• Molecular Formula: C46H29FN3OPt-
• Molecular Weight: 853.83 g/mol
• Exact Mass: 853.19
• IUPAC Name: 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: Oc1cccc(F)c1-c1cc(-c2ccccc2)cc(-c2[c-]c(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccn3)ccc2)n1.[Pt]
• InChI: InChI=1S/C46H29FN3O.Pt/c47-39-21-11-23-44(51)45(39)42-29-34(30-12-3-1-4-13-30)28-41(49-42)33-15-9-14-32(26-33)40-27-31(24-25-48-40)36-19-10-20-38-37-18-7-8-22-43(37)50(46(36)38)35-16-5-2-6-17-35;/h1-25,27-29,51H;/q-1
• InChIKey: MKGRVLGYKYEAFC-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.83
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 176614228) is 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is Oc1cccc(F)c1-c1cc(-c2ccccc2)cc(-c2[c-]c(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)ccn3)ccc2)n1.[Pt].

What is the InChIKey of 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is MKGRVLGYKYEAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29FN3O.Pt/c47-39-21-11-23-44(51)45(39)42-29-34(30-12-3-1-4-13-30)28-41(49-42)33-15-9-14-32(26-33)40-27-31(24-25-48-40)36-19-10-20-38-37-18-7-8-22-43(37)50(46(36)38)35-16-5-2-6-17-35;/h1-25,27-29,51H;/q-1;.

What are the key properties of 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 853.83 g/mol, XLogP of 11.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 176614228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).