2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)

C30H18F3N2OPPt — CID 153421256

IUPAC2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1ccnc(-p2c3[c-]c(-c4[c-]c(Oc5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C30H18F3N2OP.Pt/c1-19-13-15-34-28(16-19)37-26-10-3-2-8-23(26)24-12-11-21(18-27(24)37)20-6-4-7-22(17-20)36-29-25(30(31,32)33)9-5-14-35-29;/h2-16H,1H3;/q-2;+2
InChIKeyAVSPUPBAUBWEDQ-UHFFFAOYSA-N
MW705.53 g/mol
LogP9.14
Rot. Bonds4

About 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)

2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) (PubChem CID 153421256) has the molecular formula C30H18F3N2OPPt and a molecular weight of 705.53 g/mol. Its IUPAC name is 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+).

Molecular Properties

Compound Name2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)
PubChem CID153421256
Molecular FormulaC30H18F3N2OPPt
Molecular Weight705.53 g/mol
Exact Mass705.08
IUPAC Name2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1ccnc(-p2c3[c-]c(-c4[c-]c(Oc5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C30H18F3N2OP.Pt/c1-19-13-15-34-28(16-19)37-26-10-3-2-8-23(26)24-12-11-21(18-27(24)37)20-6-4-7-22(17-20)36-29-25(30(31,32)33)9-5-14-35-29;/h2-16H,1H3;/q-2;+2
InChIKeyAVSPUPBAUBWEDQ-UHFFFAOYSA-N
XLogP9.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.53
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) with MolForge

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Related Compounds

5,5-Bis[(2-fluoro-4-pyridinyl)methyl]-5H-[1]benzopyrano[2,3-b]pyridine
CID 19606084
5-[(2-Fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine
CID 19606108
N-[(3Z,5E)-2,2-difluoro-6-[(3-isoquinolin-4-yl-2-pyridinyl)oxy]hepta-3,5-dien-3-yl]methanimine
CID 135246603
2-[3-[[3,4-bis(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421148
platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-[6-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide
CID 153421234
2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+)
CID 153421262
5-(4-methyl-2-pyridinyl)-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
CID 153421371
platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-[5-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide
CID 153421472
platinum(2+);9-pyridin-2-yl-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide
CID 153421516
2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzoborol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+)
CID 153421532
2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)
CID 153421598
2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+)
CID 153421766

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
The IUPAC name of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) (CID 153421256) is 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+).
What is the SMILES notation for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
The canonical SMILES for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) is Cc1ccnc(-p2c3[c-]c(-c4[c-]c(Oc5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
The InChIKey is AVSPUPBAUBWEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F3N2OP.Pt/c1-19-13-15-34-28(16-19)37-26-10-3-2-8-23(26)24-12-11-21(18-27(24)37)20-6-4-7-22(17-20)36-29-25(30(31,32)33)9-5-14-35-29;/h2-16H,1H3;/q-2;+2.
What are the key properties of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) has a molecular weight of 705.53 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) is sourced from PubChem (CID 153421256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).