11-[[9-[1-(2,6-dimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)

C37H24N6OPt — CID 153411632

IUPAC11-[[9-[1-(2,6-dimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
SMILESCc1cccc(C)c1-n1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2c2ccccc21.[Pt+2]
InChIInChI=1S/C37H24N6O.Pt/c1-23-8-7-9-24(2)35(23)41-19-18-38-37(41)43-33-13-6-4-11-29(33)30-17-15-26(21-34(30)43)44-25-14-16-27-28-10-3-5-12-32(28)42-22-39-40-36(42)31(27)20-25;/h3-19,22H,1-2H3;/q-2;+2
InChIKeyKKOJITDKSIOFJP-UHFFFAOYSA-N
MW763.72 g/mol
LogP8.33
Rot. Bonds4

About 11-[[9-[1-(2,6-dimethylphenyl)imidazol-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-(2,6-dimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 153411632) has the molecular formula C37H24N6OPt and a molecular weight of 763.72 g/mol. Its IUPAC name is 11-[[9-[1-(2,6-dimethylphenyl)imidazol-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-(2,6-dimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
PubChem CID153411632
Molecular FormulaC37H24N6OPt
Molecular Weight763.72 g/mol
Exact Mass763.17
IUPAC Name11-[[9-[1-(2,6-dimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
SMILESCc1cccc(C)c1-n1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2c2ccccc21.[Pt+2]
InChIInChI=1S/C37H24N6O.Pt/c1-23-8-7-9-24(2)35(23)41-19-18-38-37(41)43-33-13-6-4-11-29(33)30-17-15-26(21-34(30)43)44-25-14-16-27-28-10-3-5-12-32(28)42-22-39-40-36(42)31(27)20-25;/h3-19,22H,1-2H3;/q-2;+2
InChIKeyKKOJITDKSIOFJP-UHFFFAOYSA-N
XLogP8.33
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.72
LogP ≤ 58.33
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

CID 163659100
CID 163659100
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CID 163660295
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CID 163667700
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CID 163675758
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153412849
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413219
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413287
2-[3-fluoro-5-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413321
9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153413451
2-[3-fluoro-5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413686
2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413982
2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153414030

Frequently Asked Questions

What is the IUPAC name of 11-[[9-[1-(2,6-dimethylphenyl)imidazol-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-(2,6-dimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) (CID 153411632) is 11-[[9-[1-(2,6-dimethylphenyl)imidazol-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-(2,6-dimethylphenyl)imidazol-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-(2,6-dimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) is Cc1cccc(C)c1-n1ccnc1-n1c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2c2ccccc21.[Pt+2].
What is the InChIKey of 11-[[9-[1-(2,6-dimethylphenyl)imidazol-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 KKOJITDKSIOFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N6O.Pt/c1-23-8-7-9-24(2)35(23)41-19-18-38-37(41)43-33-13-6-4-11-29(33)30-17-15-26(21-34(30)43)44-25-14-16-27-28-10-3-5-12-32(28)42-22-39-40-36(42)31(27)20-25;/h3-19,22H,1-2H3;/q-2;+2.
What are the key properties of 11-[[9-[1-(2,6-dimethylphenyl)imidazol-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-(2,6-dimethylphenyl)imidazol-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 763.72 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[9-[1-(2,6-dimethylphenyl)imidazol-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 153411632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).