2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)

C49H26F3N5OPt — CID 176643308

IUPAC2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
SMILESFC(F)(F)c1ccc2c(c1)c1ccc(-c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2]
InChIInChI=1S/C49H26F3N5O.Pt/c50-49(51,52)29-21-23-40-37(26-29)32-22-20-28(25-41(32)57(40)43-19-8-9-24-53-43)36-27-38-33-14-5-7-18-42(33)58-47(38)46-45(36)55-48(56(46)30-11-2-1-3-12-30)35-16-10-15-34-31-13-4-6-17-39(31)54-44(34)35;/h1-24,26-27H;/q-2;+2
InChIKeyQPHFFTFUADXPRD-UHFFFAOYSA-N
MW952.85 g/mol
LogP12.83
Rot. Bonds4

About 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)

2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) (PubChem CID 176643308) has the molecular formula C49H26F3N5OPt and a molecular weight of 952.85 g/mol. Its IUPAC name is 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+).

Molecular Properties

Compound Name2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
PubChem CID176643308
Molecular FormulaC49H26F3N5OPt
Molecular Weight952.85 g/mol
Exact Mass952.17
IUPAC Name2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
SMILESFC(F)(F)c1ccc2c(c1)c1ccc(-c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2]
InChIInChI=1S/C49H26F3N5O.Pt/c50-49(51,52)29-21-23-40-37(26-29)32-22-20-28(25-41(32)57(40)43-19-8-9-24-53-43)36-27-38-33-14-5-7-18-42(33)58-47(38)46-45(36)55-48(56(46)30-11-2-1-3-12-30)35-16-10-15-34-31-13-4-6-17-39(31)54-44(34)35;/h1-24,26-27H;/q-2;+2
InChIKeyQPHFFTFUADXPRD-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'}

Analyze 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) with MolForge

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Related Compounds

5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
2,3-Bis[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69157353
2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
CID 69159156
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
14-[3-(2,6-Difluoro-3-pyridinyl)phenyl]-3-oxa-14,16,23-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 134169367
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
3-[2,5-Bis([1]benzofuro[3,2-a]carbazol-12-yl)pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393976
3-[2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393977
12-[5-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
CID 146394099
12-[5-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 146394111
9-[3-Carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
CID 153300029
9-[3-Carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzofuran-4-yl]carbazole
CID 153300118

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
The IUPAC name of 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) (CID 176643308) is 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+).
What is the SMILES notation for 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
The canonical SMILES for 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) is FC(F)(F)c1ccc2c(c1)c1ccc(-c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[n-]c3ccccc35)n4-c3ccccc3)[c-]c1n2-c1ccccn1.[Pt+2].
What is the InChIKey of 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
The InChIKey is QPHFFTFUADXPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H26F3N5O.Pt/c50-49(51,52)29-21-23-40-37(26-29)32-22-20-28(25-41(32)57(40)43-19-8-9-24-53-43)36-27-38-33-14-5-7-18-42(33)58-47(38)46-45(36)55-48(56(46)30-11-2-1-3-12-30)35-16-10-15-34-31-13-4-6-17-39(31)54-44(34)35;/h1-24,26-27H;/q-2;+2.
What are the key properties of 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;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 2-carbazol-9-id-1-yl-1-phenyl-4-[9-pyridin-2-yl-6-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) is sourced from PubChem (CID 176643308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).