bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)

C42H48N6Pt — CID 144896776

IUPACbis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)
SMILESCCC1(C)c2n[n-]c(-c3nccc4ccccc34)c2C(C)C1(C)C.CCC1(C)c2n[n-]c(-c3nccc4ccccc34)c2C(C)C1(C)C.[Pt+2]
InChIInChI=1S/2C21H24N3.Pt/c2*1-6-21(5)19-16(13(2)20(21,3)4)18(23-24-19)17-15-10-8-7-9-14(15)11-12-22-17;/h2*7-13H,6H2,1-5H3;/q2*-1;+2
InChIKeyOPXISEIGTNPABT-UHFFFAOYSA-N
MW831.97 g/mol
LogP10.13
Rot. Bonds4

About bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)

bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+) (PubChem CID 144896776) has the molecular formula C42H48N6Pt and a molecular weight of 831.97 g/mol. Its IUPAC name is bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+).

Molecular Properties

Compound Namebis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)
PubChem CID144896776
Molecular FormulaC42H48N6Pt
Molecular Weight831.97 g/mol
Exact Mass831.36
IUPAC Namebis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)
SMILESCCC1(C)c2n[n-]c(-c3nccc4ccccc34)c2C(C)C1(C)C.CCC1(C)c2n[n-]c(-c3nccc4ccccc34)c2C(C)C1(C)C.[Pt+2]
InChIInChI=1S/2C21H24N3.Pt/c2*1-6-21(5)19-16(13(2)20(21,3)4)18(23-24-19)17-15-10-8-7-9-14(15)11-12-22-17;/h2*7-13H,6H2,1-5H3;/q2*-1;+2
InChIKeyOPXISEIGTNPABT-UHFFFAOYSA-N
XLogP10.13
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.97
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
CID 140752743
5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
CID 140635955
bis(1-(5-methylpyrazol-2-id-3-yl)isoquinoline);[(Z)-prop-1-enyl]phosphane;ruthenium(3+)
CID 58788804
1-(4-ethylphenyl)isoquinoline
CID 58184660
1-(1-methylpyrrol-2-yl)isoquinoline
CID 11769704
1-(9,9-dimethylfluoren-1-yl)isoquinoline
CID 90835059
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-(6-but-2-enyl-4-methylcyclohexa-1,3-dien-1-yl)isoquinoline
CID 145082671
bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;3-(7-methyl-7-propan-2-yl-5,6-dihydro-4H-indazol-2-id-3-yl)isoquinoline;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
CID 160784544
1-[6-(2-methyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]isoquinoline
CID 126591577
3-isoquinolin-1-yl-7,10,10-trimethyl-4,5-diaza-2-azoniatricyclo[5.2.1.02,6]deca-2(6),3-diene
CID 162037826
3,3,4,4,5,5-hexafluoro-2-isoquinolin-1-ylcyclopenten-1-ol
CID 160756573

Frequently Asked Questions

What is the IUPAC name of bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)?
The IUPAC name of bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+) (CID 144896776) is bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+).
What is the SMILES notation for bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)?
The canonical SMILES for bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+) is CCC1(C)c2n[n-]c(-c3nccc4ccccc34)c2C(C)C1(C)C.CCC1(C)c2n[n-]c(-c3nccc4ccccc34)c2C(C)C1(C)C.[Pt+2].
What is the InChIKey of bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)?
The InChIKey is OPXISEIGTNPABT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24N3.Pt/c2*1-6-21(5)19-16(13(2)20(21,3)4)18(23-24-19)17-15-10-8-7-9-14(15)11-12-22-17;/h2*7-13H,6H2,1-5H3;/q2*-1;+2.
What are the key properties of bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+)?
bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+) has a molecular weight of 831.97 g/mol, XLogP of 10.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(6-ethyl-4,5,5,6-tetramethyl-4H-cyclopenta[c]pyrazol-2-id-3-yl)isoquinoline);platinum(2+) is sourced from PubChem (CID 144896776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).