2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)

C50H30F3N5Pt — CID 176642754

IUPAC2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(F)(F)F)cc32)c1.[Pt+2]
InChIInChI=1S/C50H30F3N5.Pt/c1-30-24-25-54-46(26-30)58-44-27-32(22-23-36(44)40-28-39(31-12-4-2-5-13-31)41(29-45(40)58)50(51,52)53)34-17-11-21-43-48(34)56-49(57(43)33-14-6-3-7-15-33)38-19-10-18-37-35-16-8-9-20-42(35)55-47(37)38;/h2-26,28-29H,1H3;/q-2;+2
InChIKeyPQUMEHLAJAFNQX-UHFFFAOYSA-N
MW952.90 g/mol
LogP12.91
Rot. Bonds5

About 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)

2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176642754) has the molecular formula C50H30F3N5Pt and a molecular weight of 952.90 g/mol. Its IUPAC name is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID176642754
Molecular FormulaC50H30F3N5Pt
Molecular Weight952.90 g/mol
Exact Mass952.21
IUPAC Name2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(F)(F)F)cc32)c1.[Pt+2]
InChIInChI=1S/C50H30F3N5.Pt/c1-30-24-25-54-46(26-30)58-44-27-32(22-23-36(44)40-28-39(31-12-4-2-5-13-31)41(29-45(40)58)50(51,52)53)34-17-11-21-43-48(34)56-49(57(43)33-14-6-3-7-15-33)38-19-10-18-37-35-16-8-9-20-42(35)55-47(37)38;/h2-26,28-29H,1H3;/q-2;+2
InChIKeyPQUMEHLAJAFNQX-UHFFFAOYSA-N
XLogP12.91
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.90
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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7-(5,6-Dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) (CID 176642754) is 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) is Cc1ccnc(-n2c3[c-]c(-c4cccc5c4nc(-c4cccc6c4[n-]c4ccccc46)n5-c4ccccc4)ccc3c3cc(-c4ccccc4)c(C(F)(F)F)cc32)c1.[Pt+2].
What is the InChIKey of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is PQUMEHLAJAFNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F3N5.Pt/c1-30-24-25-54-46(26-30)58-44-27-32(22-23-36(44)40-28-39(31-12-4-2-5-13-31)41(29-45(40)58)50(51,52)53)34-17-11-21-43-48(34)56-49(57(43)33-14-6-3-7-15-33)38-19-10-18-37-35-16-8-9-20-42(35)55-47(37)38;/h2-26,28-29H,1H3;/q-2;+2.
What are the key properties of 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+)?
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 952.90 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-(4-methyl-2-pyridinyl)-6-phenyl-7-(trifluoromethyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176642754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).