2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C38H30F6N4OPt — CID 153416550

IUPAC2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(C3C(C(F)(F)F)=CCC[C@@H]3C(F)(F)F)c2C)c1.[Pt+2]
InChIInChI=1S/C38H30F6N4O.Pt/c1-21-14-15-45-34(18-21)47-32-11-6-5-8-28(32)29-13-12-26(20-33(29)47)49-27-17-22(2)16-25(19-27)48-24(4)35(23(3)46-48)36-30(37(39,40)41)9-7-10-31(36)38(42,43)44;/h5-6,8-9,11-18,31,36H,7,10H2,1-4H3;/q-2;+2/t31-,36?;/m0./s1
InChIKeyNHISQRLDENZMLI-FHYFSFKYSA-N
MW867.75 g/mol
LogP10.53
Rot. Bonds5

About 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416550) has the molecular formula C38H30F6N4OPt and a molecular weight of 867.75 g/mol. Its IUPAC name is 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID153416550
Molecular FormulaC38H30F6N4OPt
Molecular Weight867.75 g/mol
Exact Mass867.20
IUPAC Name2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(C3C(C(F)(F)F)=CCC[C@@H]3C(F)(F)F)c2C)c1.[Pt+2]
InChIInChI=1S/C38H30F6N4O.Pt/c1-21-14-15-45-34(18-21)47-32-11-6-5-8-28(32)29-13-12-26(20-33(29)47)49-27-17-22(2)16-25(19-27)48-24(4)35(23(3)46-48)36-30(37(39,40)41)9-7-10-31(36)38(42,43)44;/h5-6,8-9,11-18,31,36H,7,10H2,1-4H3;/q-2;+2/t31-,36?;/m0./s1
InChIKeyNHISQRLDENZMLI-FHYFSFKYSA-N
XLogP10.53
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.75
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(12E)-12-[8,8-diethyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-7-ylidene]-16-methyl-4,9,11-triaza-16-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1,3,5(10),6,8,13,15,17,19,21,23-undecaene
CID 145671503
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416550) is 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(-n2nc(C)c(C3C(C(F)(F)F)=CCC[C@@H]3C(F)(F)F)c2C)c1.[Pt+2].
What is the InChIKey of 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is NHISQRLDENZMLI-FHYFSFKYSA-N. The full InChI is InChI=1S/C38H30F6N4O.Pt/c1-21-14-15-45-34(18-21)47-32-11-6-5-8-28(32)29-13-12-26(20-33(29)47)49-27-17-22(2)16-25(19-27)48-24(4)35(23(3)46-48)36-30(37(39,40)41)9-7-10-31(36)38(42,43)44;/h5-6,8-9,11-18,31,36H,7,10H2,1-4H3;/q-2;+2/t31-,36?;/m0./s1.
What are the key properties of 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 867.75 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).