2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)

C64H43F2N5OPt — CID 176643136

IUPAC2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
SMILESCC1(C)C2=C([C-]=C(c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[n-]c3ccc(C(F)(F)c6ccccc6)cc35)n4-c3ccccc3)CC2)N(c2cc(-c3ccccc3)ccn2)c2ccccc21.[Pt+2]
InChIInChI=1S/C64H43F2N5O.Pt/c1-63(2)51-26-13-14-27-54(51)71(57-36-40(33-34-67-57)39-17-6-3-7-18-39)55-35-41(29-31-52(55)63)48-38-50-45-23-12-15-28-56(45)72-61(50)60-59(48)69-62(70(60)44-21-10-5-11-22-44)47-25-16-24-46-49-37-43(30-32-53(49)68-58(46)47)64(65,66)42-19-8-4-9-20-42;/h3-28,30,32-34,36-38H,29,31H2,1-2H3;/q-2;+2
InChIKeyHVNCYKZNQHGWHY-UHFFFAOYSA-N
MW1131.16 g/mol
LogP16.42
Rot. Bonds7

About 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)

2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) (PubChem CID 176643136) has the molecular formula C64H43F2N5OPt and a molecular weight of 1131.16 g/mol. Its IUPAC name is 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+).

Molecular Properties

Compound Name2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
PubChem CID176643136
Molecular FormulaC64H43F2N5OPt
Molecular Weight1131.16 g/mol
Exact Mass1130.31
IUPAC Name2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)
SMILESCC1(C)C2=C([C-]=C(c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[n-]c3ccc(C(F)(F)c6ccccc6)cc35)n4-c3ccccc3)CC2)N(c2cc(-c3ccccc3)ccn2)c2ccccc21.[Pt+2]
InChIInChI=1S/C64H43F2N5O.Pt/c1-63(2)51-26-13-14-27-54(51)71(57-36-40(33-34-67-57)39-17-6-3-7-18-39)55-35-41(29-31-52(55)63)48-38-50-45-23-12-15-28-56(45)72-61(50)60-59(48)69-62(70(60)44-21-10-5-11-22-44)47-25-16-24-46-49-37-43(30-32-53(49)68-58(46)47)64(65,66)42-19-8-4-9-20-42;/h3-28,30,32-34,36-38H,29,31H2,1-2H3;/q-2;+2
InChIKeyHVNCYKZNQHGWHY-UHFFFAOYSA-N
XLogP16.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.16
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[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
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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
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
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
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
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
9-[3-Carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluorodibenzofuran-4-yl]carbazole
CID 153300143
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11-phenylindolo[2,3-a]carbazole
CID 155159488
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzofuro[2,3-a]carbazole
CID 155159937

Frequently Asked Questions

What is the IUPAC name of 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
The IUPAC name of 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) (CID 176643136) is 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+).
What is the SMILES notation for 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
The canonical SMILES for 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) is CC1(C)C2=C([C-]=C(c3cc4c5ccccc5oc4c4c3nc(-c3cccc5c3[n-]c3ccc(C(F)(F)c6ccccc6)cc35)n4-c3ccccc3)CC2)N(c2cc(-c3ccccc3)ccn2)c2ccccc21.[Pt+2].
What is the InChIKey of 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
The InChIKey is HVNCYKZNQHGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43F2N5O.Pt/c1-63(2)51-26-13-14-27-54(51)71(57-36-40(33-34-67-57)39-17-6-3-7-18-39)55-35-41(29-31-52(55)63)48-38-50-45-23-12-15-28-56(45)72-61(50)60-59(48)69-62(70(60)44-21-10-5-11-22-44)47-25-16-24-46-49-37-43(30-32-53(49)68-58(46)47)64(65,66)42-19-8-4-9-20-42;/h3-28,30,32-34,36-38H,29,31H2,1-2H3;/q-2;+2.
What are the key properties of 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+)?
2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) has a molecular weight of 1131.16 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[difluoro(phenyl)methyl]carbazol-9-id-1-yl]-4-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)-2,4-dihydro-1H-acridin-4-id-3-yl]-1-phenyl-[1]benzofuro[2,3-e]benzimidazole;platinum(2+) is sourced from PubChem (CID 176643136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).