platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide

C33H20N5Pt+ — CID 164707171

IUPACplatinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
SMILES[Pt+2].[c-]1c(-[n+]2ccccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12
InChIInChI=1S/C33H20N5.Pt/c1-3-11-29-25(9-1)27-16-14-23(36-20-8-7-19-35-36)21-31(27)37(29)24-15-17-28-26-10-2-4-12-30(26)38(32(28)22-24)33-13-5-6-18-34-33;/h1-20H;/q-1;+2
InChIKeyJTDDRQRWIMSZDU-UHFFFAOYSA-N
MW681.64 g/mol
LogP6.55
Rot. Bonds3

About platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide

platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide (PubChem CID 164707171) has the molecular formula C33H20N5Pt+ and a molecular weight of 681.64 g/mol. Its IUPAC name is platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide.

Molecular Properties

Compound Nameplatinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
PubChem CID164707171
Molecular FormulaC33H20N5Pt+
Molecular Weight681.64 g/mol
Exact Mass681.14
IUPAC Nameplatinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
SMILES[Pt+2].[c-]1c(-[n+]2ccccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12
InChIInChI=1S/C33H20N5.Pt/c1-3-11-29-25(9-1)27-16-14-23(36-20-8-7-19-35-36)21-31(27)37(29)24-15-17-28-26-10-2-4-12-30(26)38(32(28)22-24)33-13-5-6-18-34-33;/h1-20H;/q-1;+2
InChIKeyJTDDRQRWIMSZDU-UHFFFAOYSA-N
XLogP6.55
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.64
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 164707172
platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide
CID 153465712
pentakis(platinum(2+));9-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[2,3-b]indole;9-pyridin-2-yl-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1H-carbazol-1-ide;9-pyridin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-1H-carbazol-1-ide;9-pyridin-2-yl-2-(2-pyridin-2-yloxy-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-[3-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole
CID 158048737
2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 164761033
acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 163770103
CID 164701917
CID 164701917
2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 168798816
platinum(2+);9-pyridin-2-yl-2-(5-pyridin-2-yloxy-4H-pyridin-4-id-3-yl)-1H-carbazol-1-ide
CID 153421571
CID 158797986
CID 158797986
9-[3-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yloxy-1H-carbazol-1-ide;2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum
CID 160928566
2-[2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(3,5-dimethyl-4H-pyrazol-1-ium-1-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-[2-(1-methylimidazol-2-yl)-1H-carbazol-1-id-9-yl]-9-phenylpyrido[2,3-b]indole;2-(1-methylimidazol-2-yl)-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;2-phenyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum;tetrakis(platinum(2+))
CID 161280367
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
The IUPAC name of platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide (CID 164707171) is platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide.
What is the SMILES notation for platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
The canonical SMILES for platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide is [Pt+2].[c-]1c(-[n+]2ccccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12.
What is the InChIKey of platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
The InChIKey is JTDDRQRWIMSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N5.Pt/c1-3-11-29-25(9-1)27-16-14-23(36-20-8-7-19-35-36)21-31(27)37(29)24-15-17-28-26-10-2-4-12-30(26)38(32(28)22-24)33-13-5-6-18-34-33;/h1-20H;/q-1;+2.
What are the key properties of platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide?
platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide has a molecular weight of 681.64 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide is sourced from PubChem (CID 164707171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).