11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)

C30H18N6OPt — CID 153411770

IUPAC11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
SMILESCn1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2c2ccccc21.[Pt+2]
InChIInChI=1S/C30H18N6O.Pt/c1-34-15-14-31-30(34)36-27-9-5-3-7-23(27)24-13-11-20(17-28(24)36)37-19-10-12-21-22-6-2-4-8-26(22)35-18-32-33-29(35)25(21)16-19;/h2-15,18H,1H3;/q-2;+2
InChIKeyVVRMRMZTCQZEQX-UHFFFAOYSA-N
MW673.59 g/mol
LogP6.26
Rot. Bonds3

About 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)

11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 153411770) has the molecular formula C30H18N6OPt and a molecular weight of 673.59 g/mol. Its IUPAC name is 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

Compound Name11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
PubChem CID153411770
Molecular FormulaC30H18N6OPt
Molecular Weight673.59 g/mol
Exact Mass673.12
IUPAC Name11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
SMILESCn1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2c2ccccc21.[Pt+2]
InChIInChI=1S/C30H18N6O.Pt/c1-34-15-14-31-30(34)36-27-9-5-3-7-23(27)24-13-11-20(17-28(24)36)37-19-10-12-21-22-6-2-4-8-26(22)35-18-32-33-29(35)25(21)16-19;/h2-15,18H,1H3;/q-2;+2
InChIKeyVVRMRMZTCQZEQX-UHFFFAOYSA-N
XLogP6.26
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.59
LogP ≤ 56.26
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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Frequently Asked Questions

What is the IUPAC name of 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
The IUPAC name of 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) (CID 153411770) is 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+).
What is the SMILES notation for 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
The canonical SMILES for 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) is Cn1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2c2ccccc21.[Pt+2].
What is the InChIKey of 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
The InChIKey is VVRMRMZTCQZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N6O.Pt/c1-34-15-14-31-30(34)36-27-9-5-3-7-23(27)24-13-11-20(17-28(24)36)37-19-10-12-21-22-6-2-4-8-26(22)35-18-32-33-29(35)25(21)16-19;/h2-15,18H,1H3;/q-2;+2.
What are the key properties of 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 673.59 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[9-(1-methylimidazol-2-yl)-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 153411770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).