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+)

C38H25F7N4OPt — CID 153413321

IUPAC2-[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+)
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)c(C)c(C)c(C)c6C(F)(F)F)cn5)cc(F)c4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C38H25F7N4O.Pt/c1-20-11-12-46-33(13-20)49-31-8-6-5-7-29(31)30-10-9-27(17-32(30)49)50-28-15-25(39)14-26(16-28)48-19-24(18-47-48)34-35(37(40,41)42)22(3)21(2)23(4)36(34)38(43,44)45;/h5-15,18-19H,1-4H3;/q-2;+2
InChIKeyBRSSWODRPMWDOR-UHFFFAOYSA-N
MW881.71 g/mol
LogP10.83
Rot. Bonds5

About 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+)

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+) (PubChem CID 153413321) has the molecular formula C38H25F7N4OPt and a molecular weight of 881.71 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name2-[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+)
PubChem CID153413321
Molecular FormulaC38H25F7N4OPt
Molecular Weight881.71 g/mol
Exact Mass881.16
IUPAC Name2-[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+)
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)c(C)c(C)c(C)c6C(F)(F)F)cn5)cc(F)c4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C38H25F7N4O.Pt/c1-20-11-12-46-33(13-20)49-31-8-6-5-7-29(31)30-10-9-27(17-32(30)49)50-28-15-25(39)14-26(16-28)48-19-24(18-47-48)34-35(37(40,41)42)22(3)21(2)23(4)36(34)38(43,44)45;/h5-15,18-19H,1-4H3;/q-2;+2
InChIKeyBRSSWODRPMWDOR-UHFFFAOYSA-N
XLogP10.83
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.71
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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+) with MolForge

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Related Compounds

3-methyl-N-[(E)-[2-methyl-3-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]benzo[g]indazol-7-yl]methylideneamino]pyridin-2-amine
CID 130394394
platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide
CID 140742601
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 140742611
2-(6-fluoro-2-pyridinyl)-8-[1-(6-methylindazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141403251
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760911
2,7-bis[[4-(1,1,2,2,2-pentafluoroethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760985
2,7-bis[[9-pyridin-2-yl-4-(2,2,2-trifluoroethyl)-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761007
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[6-(trifluoromethyl)-1,2,4,5-tetrazin-3-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145761050
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
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

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(F)(F)F)c(C)c(C)c(C)c6C(F)(F)F)cn5)cc(F)c4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is BRSSWODRPMWDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25F7N4O.Pt/c1-20-11-12-46-33(13-20)49-31-8-6-5-7-29(31)30-10-9-27(17-32(30)49)50-28-15-25(39)14-26(16-28)48-19-24(18-47-48)34-35(37(40,41)42)22(3)21(2)23(4)36(34)38(43,44)45;/h5-15,18-19H,1-4H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 881.71 g/mol, XLogP of 10.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 153413321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).