3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)

C60H44F6N2OPtSe2 — CID 164937497

IUPAC3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)
SMILES[2H]c1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)[se]c2c(-c3[c-]c(Oc4[c-]c(-c5nccc6c([2H])c(-c7ccc(CC(C)(C)C(F)(F)F)cc7)[se]c56)cc(-c5ccccc5)c4)cc(-c4ccccc4)c3)nccc12.[Pt+2]
InChIInChI=1S/C60H44F6N2OSe2.Pt/c1-57(2,59(61,62)63)35-37-15-19-41(20-16-37)51-33-43-23-25-67-53(55(43)70-51)47-27-45(39-11-7-5-8-12-39)29-49(31-47)69-50-30-46(40-13-9-6-10-14-40)28-48(32-50)54-56-44(24-26-68-54)34-52(71-56)42-21-17-38(18-22-42)36-58(3,4)60(64,65)66;/h5-30,33-34H,35-36H2,1-4H3;/q-2;+2/i33D,34D;
InChIKeyZKYKGILYCHDCTH-KLYIPFFWSA-N
MW1278.02 g/mol
LogP16.55
Rot. Bonds12

About 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)

3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+) (PubChem CID 164937497) has the molecular formula C60H44F6N2OPtSe2 and a molecular weight of 1278.02 g/mol. Its IUPAC name is 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+).

Molecular Properties

Compound Name3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)
PubChem CID164937497
Molecular FormulaC60H44F6N2OPtSe2
Molecular Weight1278.02 g/mol
Exact Mass1279.15
IUPAC Name3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)
SMILES[2H]c1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)[se]c2c(-c3[c-]c(Oc4[c-]c(-c5nccc6c([2H])c(-c7ccc(CC(C)(C)C(F)(F)F)cc7)[se]c56)cc(-c5ccccc5)c4)cc(-c4ccccc4)c3)nccc12.[Pt+2]
InChIInChI=1S/C60H44F6N2OSe2.Pt/c1-57(2,59(61,62)63)35-37-15-19-41(20-16-37)51-33-43-23-25-67-53(55(43)70-51)47-27-45(39-11-7-5-8-12-39)29-49(31-47)69-50-30-46(40-13-9-6-10-14-40)28-48(32-50)54-56-44(24-26-68-54)34-52(71-56)42-21-17-38(18-22-42)36-58(3,4)60(64,65)66;/h5-30,33-34H,35-36H2,1-4H3;/q-2;+2/i33D,34D;
InChIKeyZKYKGILYCHDCTH-KLYIPFFWSA-N
XLogP16.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001278.02
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+) with MolForge

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Related Compounds

4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine;platinum(2+)
CID 169277740
6-[3-methyl-5-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-selena-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)
CID 169025586
7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660650
3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660561
2-(4-tert-butylphenyl)-7-[3-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]furo[2,3-c]pyridine;2-(4-tert-butylphenyl)-7-[3-[3-[2-(4-tert-butylphenyl)thieno[2,3-c]pyridin-7-yl]-5-(5-methylthiophen-2-yl)benzene-2-id-1-yl]oxy-5-(5-methylthiophen-2-yl)benzene-2-id-1-yl]thieno[2,3-c]pyridine;2-phenyl-7-[3-phenyl-5-[3-phenyl-5-(2-phenylthieno[2,3-c]pyridin-7-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]thieno[2,3-c]pyridine;tris(platinum(2+))
CID 159925512
4-[3-tert-butyl-5-[3-tert-butyl-5-[2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]phenoxy]phenyl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-[1,3]thiazolo[5,4-c]pyridine
CID 169277741
5-deuterio-7,7-dimethyl-1-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-6-[5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]cyclopenta[c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 170545728
2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164743217
12-(2,6-dimethylphenyl)-14-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-13,15,19-triaza-12-borapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,14,16(20),17-nonaene
CID 164728013
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]phenyl]pyridine;iridium
CID 165160773
1-[3-(3-tert-butyl-5-isoquinolin-3-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 153428959
7-(3,5-dimethylphenyl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 169301174

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)?
The IUPAC name of 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+) (CID 164937497) is 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+).
What is the SMILES notation for 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)?
The canonical SMILES for 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+) is [2H]c1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)[se]c2c(-c3[c-]c(Oc4[c-]c(-c5nccc6c([2H])c(-c7ccc(CC(C)(C)C(F)(F)F)cc7)[se]c56)cc(-c5ccccc5)c4)cc(-c4ccccc4)c3)nccc12.[Pt+2].
What is the InChIKey of 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)?
The InChIKey is ZKYKGILYCHDCTH-KLYIPFFWSA-N. The full InChI is InChI=1S/C60H44F6N2OSe2.Pt/c1-57(2,59(61,62)63)35-37-15-19-41(20-16-37)51-33-43-23-25-67-53(55(43)70-51)47-27-45(39-11-7-5-8-12-39)29-49(31-47)69-50-30-46(40-13-9-6-10-14-40)28-48(32-50)54-56-44(24-26-68-54)34-52(71-56)42-21-17-38(18-22-42)36-58(3,4)60(64,65)66;/h5-30,33-34H,35-36H2,1-4H3;/q-2;+2/i33D,34D;.
What are the key properties of 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)?
3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+) has a molecular weight of 1278.02 g/mol, XLogP of 16.55, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-7-[3-[3-[3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+) is sourced from PubChem (CID 164937497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).