2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum

C50H49N4OPt- — CID 140746153

IUPAC2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ncc(C4(c5cc(C(C)(C)C)ccn5)c5ccccc5-c5ccccc54)[n-]3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C50H49N4O.Pt/c1-47(2,3)33-22-23-51-44(29-33)50(39-19-13-10-16-36(39)37-17-11-14-20-40(37)50)45-30-52-46(54-45)42-27-32(26-41(53-42)38-18-12-15-21-43(38)55)31-24-34(48(4,5)6)28-35(25-31)49(7,8)9;/h10-30H,1-9H3,(H-,52,53,54,55);/q-1;
InChIKeyKNCAJJQRXDIZCN-UHFFFAOYSA-N
MW917.05 g/mol
LogP11.79
Rot. Bonds5

About 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum

2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (PubChem CID 140746153) has the molecular formula C50H49N4OPt- and a molecular weight of 917.05 g/mol. Its IUPAC name is 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
PubChem CID140746153
Molecular FormulaC50H49N4OPt-
Molecular Weight917.05 g/mol
Exact Mass916.36
IUPAC Name2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ncc(C4(c5cc(C(C)(C)C)ccn5)c5ccccc5-c5ccccc54)[n-]3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C50H49N4O.Pt/c1-47(2,3)33-22-23-51-44(29-33)50(39-19-13-10-16-36(39)37-17-11-14-20-40(37)50)45-30-52-46(54-45)42-27-32(26-41(53-42)38-18-12-15-21-43(38)55)31-24-34(48(4,5)6)28-35(25-31)49(7,8)9;/h10-30H,1-9H3,(H-,52,53,54,55);/q-1;
InChIKeyKNCAJJQRXDIZCN-UHFFFAOYSA-N
XLogP11.79
TPSA73.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.05
LogP ≤ 511.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(trifluoromethyl)benzimidazol-2-yl]phenol;platinum
CID 164701419
2,4-Ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-tert-butyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 166496350
2-[1-[3,5-Bis[4-(trifluoromethyl)phenyl]phenyl]-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 167355646
2,4-Ditert-butyl-6-[1-tert-butyl-4-[3-tert-butyl-5-[4-[2-(2,2,2-trifluoroethyl)cyclopentyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 169302073
CID 171043802
CID 171043802
2-[4-(3,5-Dipyridin-2-ylbenzene-4-id-1-yl)-3,5-di(propan-2-yl)phenyl]pyrimidine;iridium;2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 171438726
CID 177073419
CID 177073419
4-Tert-butyl-2-[1-(4-tert-butylphenyl)-6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177110275
pentakis((Z)-4-oxopent-2-en-2-olate);bis(pyridine);14,19,34,39-tetratert-butyl-44-hydroxy-3,10,23,30-tetrazaoctacyclo[35.3.1.112,16.117,21.132,36.02,10.04,9.024,29]tetratetraconta-1(40),2,4,6,8,12(44),13,15,17,19,21(43),22,24,26,28,30,32(42),33,35,37(41),38-henicosaene-41,42,43-triolate;bis(uranium(4+))
CID 139175875
Platinum;6,6,16,16-tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol
CID 57759515
6,6,16,16-Tetramethyl-4,14-diphenyl-4,14,22,24-tetrazapentacyclo[15.3.1.12,5.17,11.112,15]tetracosa-1(21),2,5(24),7,9,11(23),12,15(22),17,19-decaene-21,23-diol;ZINC
CID 57759680
2-[2-[4-(2-Hydroxyphenyl)-1-phenylimidazol-2-yl]-1-phenylimidazol-4-yl]phenol;platinum
CID 57796193

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum (CID 140746153) is 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2cc(-c3ncc(C4(c5cc(C(C)(C)C)ccn5)c5ccccc5-c5ccccc54)[n-]3)nc(-c3ccccc3O)c2)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?
The InChIKey is KNCAJJQRXDIZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N4O.Pt/c1-47(2,3)33-22-23-51-44(29-33)50(39-19-13-10-16-36(39)37-17-11-14-20-40(37)50)45-30-52-46(54-45)42-27-32(26-41(53-42)38-18-12-15-21-43(38)55)31-24-34(48(4,5)6)28-35(25-31)49(7,8)9;/h10-30H,1-9H3,(H-,52,53,54,55);/q-1;.
What are the key properties of 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum?
2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum has a molecular weight of 917.05 g/mol, XLogP of 11.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]imidazol-3-id-2-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 140746153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).