9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C30H15F6N3OPt — CID 153421606

IUPAC9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(F)c1ccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)nc1C(F)(F)F.[Pt+2]
InChIInChI=1S/C30H15F6N3O.Pt/c31-29(32,33)23-13-14-26(38-28(23)30(34,35)36)39-24-9-2-1-8-21(24)22-12-11-19(17-25(22)39)18-6-5-7-20(16-18)40-27-10-3-4-15-37-27;/h1-15H;/q-2;+2
InChIKeyHVHYYVHUUATBDE-UHFFFAOYSA-N
MW742.54 g/mol
LogP8.67
Rot. Bonds4

About 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421606) has the molecular formula C30H15F6N3OPt and a molecular weight of 742.54 g/mol. Its IUPAC name is 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421606
Molecular FormulaC30H15F6N3OPt
Molecular Weight742.54 g/mol
Exact Mass742.08
IUPAC Name9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
SMILESFC(F)(F)c1ccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)nc1C(F)(F)F.[Pt+2]
InChIInChI=1S/C30H15F6N3O.Pt/c31-29(32,33)23-13-14-26(38-28(23)30(34,35)36)39-24-9-2-1-8-21(24)22-12-11-19(17-25(22)39)18-6-5-7-20(16-18)40-27-10-3-4-15-37-27;/h1-15H;/q-2;+2
InChIKeyHVHYYVHUUATBDE-UHFFFAOYSA-N
XLogP8.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.54
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-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

2-(4-methoxy-phenyl)-1-{2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl}-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CID 10389831
10-Methyl-7-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pentan-3-yl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 44444325
9-Methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 86302601
9-(Difluoromethyl)-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 86302603
3-[2-[[3-(4-Fluorophenyl)-2-pyridinyl]oxy]ethyl]-9-methylpyrido[2,3-b]indole
CID 90656266
9-Methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 90656268
4-(4,4-Difluoropiperidin-1-yl)-1-[(3-methoxyphenyl)methyl]pyrrolo[3,2-c]quinoline
CID 168287945
2-[4-[[3-(Oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
CID 54670307
4-Methyl-2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]quinoline
CID 58548127
6-Fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline
CID 118577019
3-[3-[[3-(2-Fluoro-3-pyridinyl)-2-pyridinyl]oxy]propyl]-9-methylpyrido[2,3-b]indole
CID 90656269
9-Methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole
CID 90656270

Frequently Asked Questions

What is the IUPAC name of 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153421606) is 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is FC(F)(F)c1ccc(-n2c3[c-]c(-c4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc32)nc1C(F)(F)F.[Pt+2].
What is the InChIKey of 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is HVHYYVHUUATBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15F6N3O.Pt/c31-29(32,33)23-13-14-26(38-28(23)30(34,35)36)39-24-9-2-1-8-21(24)22-12-11-19(17-25(22)39)18-6-5-7-20(16-18)40-27-10-3-4-15-37-27;/h1-15H;/q-2;+2.
What are the key properties of 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?
9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 742.54 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).