9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)

C61H44F3N5Pt — CID 176642397

IUPAC9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)
SMILESCc1cc(C)c(-c2cc(-c3cccc4c3nc(-c3ccc(C(F)(F)F)c5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cccnc43)c2)c(C)c1.[Pt+2]
InChIInChI=1S/C61H44F3N5.Pt/c1-34-26-36(3)54(37(4)27-34)40-21-24-52-49(33-40)46-18-13-25-65-59(46)69(52)44-31-41(30-42(32-44)55-38(5)28-35(2)29-39(55)6)45-17-12-20-53-57(45)67-60(68(53)43-14-8-7-9-15-43)48-22-23-50(61(62,63)64)56-47-16-10-11-19-51(47)66-58(48)56;/h7-30,32-33H,1-6H3;/q-2;+2
InChIKeyHYIHXCVTYTZYBZ-UHFFFAOYSA-N
MW1099.13 g/mol
LogP16.12
Rot. Bonds6

About 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)

9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+) (PubChem CID 176642397) has the molecular formula C61H44F3N5Pt and a molecular weight of 1099.13 g/mol. Its IUPAC name is 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+).

Molecular Properties

Compound Name9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)
PubChem CID176642397
Molecular FormulaC61H44F3N5Pt
Molecular Weight1099.13 g/mol
Exact Mass1098.32
IUPAC Name9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)
SMILESCc1cc(C)c(-c2cc(-c3cccc4c3nc(-c3ccc(C(F)(F)F)c5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cccnc43)c2)c(C)c1.[Pt+2]
InChIInChI=1S/C61H44F3N5.Pt/c1-34-26-36(3)54(37(4)27-34)40-21-24-52-49(33-40)46-18-13-25-65-59(46)69(52)44-31-41(30-42(32-44)55-38(5)28-35(2)29-39(55)6)45-17-12-20-53-57(45)67-60(68(53)43-14-8-7-9-15-43)48-22-23-50(61(62,63)64)56-47-16-10-11-19-51(47)66-58(48)56;/h7-30,32-33H,1-6H3;/q-2;+2
InChIKeyHYIHXCVTYTZYBZ-UHFFFAOYSA-N
XLogP16.12
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.13
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+) with MolForge

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Related Compounds

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8-Fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
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Frequently Asked Questions

What is the IUPAC name of 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)?
The IUPAC name of 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+) (CID 176642397) is 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+).
What is the SMILES notation for 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)?
The canonical SMILES for 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+) is Cc1cc(C)c(-c2cc(-c3cccc4c3nc(-c3ccc(C(F)(F)F)c5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cccnc43)c2)c(C)c1.[Pt+2].
What is the InChIKey of 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)?
The InChIKey is HYIHXCVTYTZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44F3N5.Pt/c1-34-26-36(3)54(37(4)27-34)40-21-24-52-49(33-40)46-18-13-25-65-59(46)69(52)44-31-41(30-42(32-44)55-38(5)28-35(2)29-39(55)6)45-17-12-20-53-57(45)67-60(68(53)43-14-8-7-9-15-43)48-22-23-50(61(62,63)64)56-47-16-10-11-19-51(47)66-58(48)56;/h7-30,32-33H,1-6H3;/q-2;+2.
What are the key properties of 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+)?
9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+) has a molecular weight of 1099.13 g/mol, XLogP of 16.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[1-phenyl-2-[4-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-6-(2,4,6-trimethylphenyl)pyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 176642397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).