1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

C49H26F3N5OPt — CID 176642817

IUPAC1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
SMILESFC(F)(F)c1ccc2c(c1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1nccc2c1oc1ccccc12.[Pt+2]
InChIInChI=1S/C49H26F3N5O.Pt/c50-49(51,52)29-21-23-40-38(27-29)33-22-20-28(26-42(33)57(40)48-46-36(24-25-53-48)34-13-5-7-19-43(34)58-46)31-14-9-18-41-45(31)55-47(56(41)30-10-2-1-3-11-30)37-16-8-15-35-32-12-4-6-17-39(32)54-44(35)37;/h1-25,27H;/q-2;+2
InChIKeyUPYUIRAACXWWBU-UHFFFAOYSA-N
MW952.85 g/mol
LogP12.83
Rot. Bonds4

About 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (PubChem CID 176642817) has the molecular formula C49H26F3N5OPt and a molecular weight of 952.85 g/mol. Its IUPAC name is 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).

Molecular Properties

Compound Name1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
PubChem CID176642817
Molecular FormulaC49H26F3N5OPt
Molecular Weight952.85 g/mol
Exact Mass952.17
IUPAC Name1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
SMILESFC(F)(F)c1ccc2c(c1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1nccc2c1oc1ccccc12.[Pt+2]
InChIInChI=1S/C49H26F3N5O.Pt/c50-49(51,52)29-21-23-40-38(27-29)33-22-20-28(26-42(33)57(40)48-46-36(24-25-53-48)34-13-5-7-19-43(34)58-46)31-14-9-18-41-45(31)55-47(56(41)30-10-2-1-3-11-30)37-16-8-15-35-32-12-4-6-17-39(32)54-44(35)37;/h1-25,27H;/q-2;+2
InChIKeyUPYUIRAACXWWBU-UHFFFAOYSA-N
XLogP12.83
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.85
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
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CID 59358466
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
CID 59359359
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CID 69157353
2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
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8-[4-[4-Phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 117659653
[2-(6-Fluoro-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonyl] 2-(1-benzofuran-2-yl)-3-(2-methylpyrrolidin-1-yl)quinoxaline-6-carboxylate
CID 123454270
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CID 137538121
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CID 139382904
2-[3-[3-[[2-(Difluoromethyl)-7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-methylidenepyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 139551461
(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
The IUPAC name of 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (CID 176642817) is 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).
What is the SMILES notation for 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
The canonical SMILES for 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is FC(F)(F)c1ccc2c(c1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1nccc2c1oc1ccccc12.[Pt+2].
What is the InChIKey of 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
The InChIKey is UPYUIRAACXWWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H26F3N5O.Pt/c50-49(51,52)29-21-23-40-38(27-29)33-22-20-28(26-42(33)57(40)48-46-36(24-25-53-48)34-13-5-7-19-43(34)58-46)31-14-9-18-41-45(31)55-47(56(41)30-10-2-1-3-11-30)37-16-8-15-35-32-12-4-6-17-39(32)54-44(35)37;/h1-25,27H;/q-2;+2.
What are the key properties of 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) has a molecular weight of 952.85 g/mol, XLogP of 12.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is sourced from PubChem (CID 176642817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).