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

C37H27N3OPt — CID 162461898

About N,N-dimethyl-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-dimethyl-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 162461898) has the molecular formula C37H27N3OPt and a molecular weight of 724.72 g/mol. Its IUPAC name is N,N-dimethyl-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-dimethyl-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: 162461898
• Molecular Formula: C37H27N3OPt
• Molecular Weight: 724.72 g/mol
• Exact Mass: 724.18
• IUPAC Name: N,N-dimethyl-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: CN(C)c1ccnc(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5-c5ccccc54)ccc3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C37H27N3O.Pt/c1-40(2)28-20-22-38-35(25-28)26-11-9-13-29(23-26)41-30-14-10-12-27(24-30)37(36-19-7-8-21-39-36)33-17-5-3-15-31(33)32-16-4-6-18-34(32)37;/h3-22,25H,1-2H3;/q-2;+2
• InChIKey: HGJCHZAPOSSOJT-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.72
LogP ≤ 5	7.96
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-dimethyl-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-dimethyl-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 162461898) is N,N-dimethyl-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-dimethyl-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-dimethyl-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 CN(C)c1ccnc(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5-c5ccccc54)ccc3)ccc2)c1.[Pt+2].

What is the InChIKey of N,N-dimethyl-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 HGJCHZAPOSSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3O.Pt/c1-40(2)28-20-22-38-35(25-28)26-11-9-13-29(23-26)41-30-14-10-12-27(24-30)37(36-19-7-8-21-39-36)33-17-5-3-15-31(33)32-16-4-6-18-34(32)37;/h3-22,25H,1-2H3;/q-2;+2.

What are the key properties of N,N-dimethyl-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-dimethyl-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 724.72 g/mol, XLogP of 7.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-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 162461898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).