1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)

C64H78N12Pt — CID 158649748

IUPAC1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)
SMILESCC(C)(C)c1cc(-c2cc3ccccc3c(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1.CC(C)(C)c1cc(-c2cc3ccccc3c(-c3cc(C(C)(C)C)n[n-]3)n2)[n-]n1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[Pt+2]
InChIInChI=1S/C23H27N5.C23H25N5.2C9H13N.Pt/c2*1-22(2,3)19-12-17(25-27-19)16-11-14-9-7-8-10-15(14)21(24-16)18-13-20(28-26-18)23(4,5)6;2*1-9(2,3)8-4-6-10-7-5-8;/h7-13H,1-6H3,(H,25,27)(H,26,28);7-13H,1-6H3;2*4-7H,1-3H3;/q;-2;;;+2
InChIKeyIBKBKVZPMPGRSO-UHFFFAOYSA-N
MW1210.49 g/mol
LogP15.23
Rot. Bonds4

About 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)

1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+) (PubChem CID 158649748) has the molecular formula C64H78N12Pt and a molecular weight of 1210.49 g/mol. Its IUPAC name is 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+).

Molecular Properties

Compound Name1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)
PubChem CID158649748
Molecular FormulaC64H78N12Pt
Molecular Weight1210.49 g/mol
Exact Mass1209.61
IUPAC Name1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)
SMILESCC(C)(C)c1cc(-c2cc3ccccc3c(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1.CC(C)(C)c1cc(-c2cc3ccccc3c(-c3cc(C(C)(C)C)n[n-]3)n2)[n-]n1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[Pt+2]
InChIInChI=1S/C23H27N5.C23H25N5.2C9H13N.Pt/c2*1-22(2,3)19-12-17(25-27-19)16-11-14-9-7-8-10-15(14)21(24-16)18-13-20(28-26-18)23(4,5)6;2*1-9(2,3)8-4-6-10-7-5-8;/h7-13H,1-6H3,(H,25,27)(H,26,28);7-13H,1-6H3;2*4-7H,1-3H3;/q;-2;;;+2
InChIKeyIBKBKVZPMPGRSO-UHFFFAOYSA-N
XLogP15.23
TPSA162.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.49
LogP ≤ 515.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+) with MolForge

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Related Compounds

1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine
CID 156661505
2,6-bis(3-tert-butylpyrazol-1-id-5-yl)-4-(3,5-ditert-butylphenyl)pyridine;1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;3-(3-tert-butylpyrazol-1-id-5-yl)-1-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)isoquinoline;bis(4-tert-butylpyridine);dibenzofuran;tris(platinum(2+))
CID 159457464
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
CID 169026666
1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)
CID 156661553
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)isoquinoline
CID 156661662
2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))
CID 58756122
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
CID 140723069
4-tert-butylpyridine;3-[6-(3-phenylpyrazol-1-id-5-yl)pyrazin-2-yl]indazol-2-ide;platinum(2+)
CID 156661705
1-(3-tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-indazol-2-id-3-yl-2,7-naphthyridine;1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,7-naphthyridine;tetrakis(4-tert-butylpyridine);1-(5-ethyl-4-methylpyrazol-2-id-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-1-ium-2-id-3-yl)-2,7-naphthyridine;tetrakis(platinum(2+))
CID 159922216
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;platinum(2+)
CID 140723049
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)?
The IUPAC name of 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+) (CID 158649748) is 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+).
What is the SMILES notation for 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)?
The canonical SMILES for 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+) is CC(C)(C)c1cc(-c2cc3ccccc3c(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1.CC(C)(C)c1cc(-c2cc3ccccc3c(-c3cc(C(C)(C)C)n[n-]3)n2)[n-]n1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.[Pt+2].
What is the InChIKey of 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)?
The InChIKey is IBKBKVZPMPGRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5.C23H25N5.2C9H13N.Pt/c2*1-22(2,3)19-12-17(25-27-19)16-11-14-9-7-8-10-15(14)21(24-16)18-13-20(28-26-18)23(4,5)6;2*1-9(2,3)8-4-6-10-7-5-8;/h7-13H,1-6H3,(H,25,27)(H,26,28);7-13H,1-6H3;2*4-7H,1-3H3;/q;-2;;;+2.
What are the key properties of 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+)?
1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+) has a molecular weight of 1210.49 g/mol, XLogP of 15.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-tert-butylpyrazol-1-id-5-yl)isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline;bis(4-tert-butylpyridine);platinum(2+) is sourced from PubChem (CID 158649748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).