8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)

C31H15N7OPt — CID 153411524

IUPAC8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
SMILES[C-]#[N+]c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nnnn21.[Pt+2]
InChIInChI=1S/C31H15N7O.Pt/c1-32-25-8-6-10-27-30(25)23-15-13-19(17-24(23)31-34-35-36-38(27)31)39-20-12-14-22-21-7-2-3-9-26(21)37(28(22)18-20)29-11-4-5-16-33-29;/h2-16H;/q-2;+2
InChIKeyJGDFSGDRHQICNT-UHFFFAOYSA-N
MW696.59 g/mol
LogP6.86
Rot. Bonds3

About 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)

8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 153411524) has the molecular formula C31H15N7OPt and a molecular weight of 696.59 g/mol. Its IUPAC name is 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

Compound Name8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
PubChem CID153411524
Molecular FormulaC31H15N7OPt
Molecular Weight696.59 g/mol
Exact Mass696.10
IUPAC Name8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
SMILES[C-]#[N+]c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nnnn21.[Pt+2]
InChIInChI=1S/C31H15N7O.Pt/c1-32-25-8-6-10-27-30(25)23-15-13-19(17-24(23)31-34-35-36-38(27)31)39-20-12-14-22-21-7-2-3-9-26(21)37(28(22)18-20)29-11-4-5-16-33-29;/h2-16H;/q-2;+2
InChIKeyJGDFSGDRHQICNT-UHFFFAOYSA-N
XLogP6.86
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.59
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-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 153411656
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
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895
CID 154610691
CID 154610691
5-tert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610586
CID 154610877
CID 154610877
7,8-ditert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611664
CID 155650074
CID 155650074
2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155623027
CID 154610967
CID 154610967
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
CID 155649934
CID 155649934

Frequently Asked Questions

What is the IUPAC name of 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?
The IUPAC name of 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+) (CID 153411524) is 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+).
What is the SMILES notation for 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?
The canonical SMILES for 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+) is [C-]#[N+]c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nnnn21.[Pt+2].
What is the InChIKey of 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?
The InChIKey is JGDFSGDRHQICNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H15N7O.Pt/c1-32-25-8-6-10-27-30(25)23-15-13-19(17-24(23)31-34-35-36-38(27)31)39-20-12-14-22-21-7-2-3-9-26(21)37(28(22)18-20)29-11-4-5-16-33-29;/h2-16H;/q-2;+2.
What are the key properties of 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?
8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 696.59 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isocyano-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-tetrazolo[1,5-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 153411524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).