N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)

C47H31N3OPt — CID 162461710

About N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)

N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+) (PubChem CID 162461710) has the molecular formula C47H31N3OPt and a molecular weight of 848.86 g/mol. Its IUPAC name is N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+).

Molecular Properties

• Compound Name: N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)
• PubChem CID: 162461710
• Molecular Formula: C47H31N3OPt
• Molecular Weight: 848.86 g/mol
• Exact Mass: 848.21
• IUPAC Name: N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4-c4ccccc43)ccc2)cccc1-c1cc(N(c2ccccc2)c2ccccc2)ccn1
• InChI: InChI=1S/C47H31N3O.Pt/c1-3-17-36(18-4-1)50(37-19-5-2-6-20-37)38-28-30-48-45(33-38)34-15-13-21-39(31-34)51-40-22-14-16-35(32-40)47(46-27-11-12-29-49-46)43-25-9-7-23-41(43)42-24-8-10-26-44(42)47;/h1-30,33H;/q-2;+2
• InChIKey: MZCYDKHQMPCMNP-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.86
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	0
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 N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)?

The IUPAC name of N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+) (CID 162461710) is N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+).

What is the SMILES notation for N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)?

The canonical SMILES for N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4-c4ccccc43)ccc2)cccc1-c1cc(N(c2ccccc2)c2ccccc2)ccn1.

What is the InChIKey of N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)?

The InChIKey is MZCYDKHQMPCMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O.Pt/c1-3-17-36(18-4-1)50(37-19-5-2-6-20-37)38-28-30-48-45(33-38)34-15-13-21-39(31-34)51-40-22-14-16-35(32-40)47(46-27-11-12-29-49-46)43-25-9-7-23-41(43)42-24-8-10-26-44(42)47;/h1-30,33H;/q-2;+2.

What are the key properties of N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)?

N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+) has a molecular weight of 848.86 g/mol, XLogP of 11.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+) is sourced from PubChem (CID 162461710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).