1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)

C35H24N2OPt — CID 140601165

IUPAC1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)
SMILESCCC1(c2[c-]c(Oc3ccccn3)ccc2)c2[c-]c(-c3nccc4ccccc34)ccc2-c2ccccc21.[Pt+2]
InChIInChI=1S/C35H24N2O.Pt/c1-2-35(26-11-9-12-27(23-26)38-33-16-7-8-20-36-33)31-15-6-5-14-29(31)30-18-17-25(22-32(30)35)34-28-13-4-3-10-24(28)19-21-37-34;/h3-21H,2H2,1H3;/q-2;+2
InChIKeyYQQSMUUODNFTKX-UHFFFAOYSA-N
MW683.67 g/mol
LogP8.41
Rot. Bonds5

About 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)

1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+) (PubChem CID 140601165) has the molecular formula C35H24N2OPt and a molecular weight of 683.67 g/mol. Its IUPAC name is 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+).

Molecular Properties

Compound Name1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)
PubChem CID140601165
Molecular FormulaC35H24N2OPt
Molecular Weight683.67 g/mol
Exact Mass683.15
IUPAC Name1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)
SMILESCCC1(c2[c-]c(Oc3ccccn3)ccc2)c2[c-]c(-c3nccc4ccccc34)ccc2-c2ccccc21.[Pt+2]
InChIInChI=1S/C35H24N2O.Pt/c1-2-35(26-11-9-12-27(23-26)38-33-16-7-8-20-36-33)31-15-6-5-14-29(31)30-18-17-25(22-32(30)35)34-28-13-4-3-10-24(28)19-21-37-34;/h3-21H,2H2,1H3;/q-2;+2
InChIKeyYQQSMUUODNFTKX-UHFFFAOYSA-N
XLogP8.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.67
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)?
The IUPAC name of 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+) (CID 140601165) is 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+).
What is the SMILES notation for 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)?
The canonical SMILES for 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+) is CCC1(c2[c-]c(Oc3ccccn3)ccc2)c2[c-]c(-c3nccc4ccccc34)ccc2-c2ccccc21.[Pt+2].
What is the InChIKey of 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)?
The InChIKey is YQQSMUUODNFTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O.Pt/c1-2-35(26-11-9-12-27(23-26)38-33-16-7-8-20-36-33)31-15-6-5-14-29(31)30-18-17-25(22-32(30)35)34-28-13-4-3-10-24(28)19-21-37-34;/h3-21H,2H2,1H3;/q-2;+2.
What are the key properties of 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)?
1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+) has a molecular weight of 683.67 g/mol, XLogP of 8.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+) is sourced from PubChem (CID 140601165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).