9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum

C41H31F3N5OPt-3 — CID 168848702

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)nc(-c3ccc(C(F)(F)F)cc3)c2)c2ccccc21.[Pt]
InChIInChI=1S/C41H31F3N5O.Pt/c1-40(2,3)28-19-20-45-38(21-28)49-34-10-6-5-9-31(34)32-18-17-30(24-37(32)49)50-39-23-29(48-25-47(4)35-11-7-8-12-36(35)48)22-33(46-39)26-13-15-27(16-14-26)41(42,43)44;/h5-22,25H,1-4H3;/q-3;
InChIKeyCHXDCRVPXZFOOR-UHFFFAOYSA-N
MW861.81 g/mol
LogP10.65
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 168848702) has the molecular formula C41H31F3N5OPt-3 and a molecular weight of 861.81 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
PubChem CID168848702
Molecular FormulaC41H31F3N5OPt-3
Molecular Weight861.81 g/mol
Exact Mass861.21
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
SMILESCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)nc(-c3ccc(C(F)(F)F)cc3)c2)c2ccccc21.[Pt]
InChIInChI=1S/C41H31F3N5O.Pt/c1-40(2,3)28-19-20-45-38(21-28)49-34-10-6-5-9-31(34)32-18-17-30(24-37(32)49)50-39-23-29(48-25-47(4)35-11-7-8-12-36(35)48)22-33(46-39)26-13-15-27(16-14-26)41(42,43)44;/h5-22,25H,1-4H3;/q-3;
InChIKeyCHXDCRVPXZFOOR-UHFFFAOYSA-N
XLogP10.65
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.81
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum (CID 168848702) is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)nc(-c3ccc(C(F)(F)F)cc3)c2)c2ccccc21.[Pt].
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?
The InChIKey is CHXDCRVPXZFOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31F3N5O.Pt/c1-40(2,3)28-19-20-45-38(21-28)49-34-10-6-5-9-31(34)32-18-17-30(24-37(32)49)50-39-23-29(48-25-47(4)35-11-7-8-12-36(35)48)22-33(46-39)26-13-15-27(16-14-26)41(42,43)44;/h5-22,25H,1-4H3;/q-3;.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum?
9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 861.81 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-2-id-1-yl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridin-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168848702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).