2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum

C55H53F3N3OPt- — CID 177109925

IUPAC2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum
SMILESCc1cc(C)c(-n2c(-c3ccc(C(F)(F)F)cc3O)nc3c(-c4[c-]c(-c5cccc6cccnc56)cc(C(C)C)c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)cc32)c(C)c1.[Pt]
InChIInChI=1S/C55H53F3N3O.Pt/c1-31(2)36-25-37(41-17-12-15-35-16-14-22-59-49(35)41)27-38(26-36)43-28-39(48-44(53(6,7)8)18-13-19-45(48)54(9,10)11)29-46-50(43)60-52(42-21-20-40(30-47(42)62)55(56,57)58)61(46)51-33(4)23-32(3)24-34(51)5;/h12-26,28-31,62H,1-11H3;/q-1;
InChIKeySPNLTYPRULPKDO-UHFFFAOYSA-N
MW1024.12 g/mol
LogP15.41
Rot. Bonds6

About 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum

2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum (PubChem CID 177109925) has the molecular formula C55H53F3N3OPt- and a molecular weight of 1024.12 g/mol. Its IUPAC name is 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum.

Molecular Properties

Compound Name2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum
PubChem CID177109925
Molecular FormulaC55H53F3N3OPt-
Molecular Weight1024.12 g/mol
Exact Mass1023.38
IUPAC Name2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum
SMILESCc1cc(C)c(-n2c(-c3ccc(C(F)(F)F)cc3O)nc3c(-c4[c-]c(-c5cccc6cccnc56)cc(C(C)C)c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)cc32)c(C)c1.[Pt]
InChIInChI=1S/C55H53F3N3O.Pt/c1-31(2)36-25-37(41-17-12-15-35-16-14-22-59-49(35)41)27-38(26-36)43-28-39(48-44(53(6,7)8)18-13-19-45(48)54(9,10)11)29-46-50(43)60-52(42-21-20-40(30-47(42)62)55(56,57)58)61(46)51-33(4)23-32(3)24-34(51)5;/h12-26,28-31,62H,1-11H3;/q-1;
InChIKeySPNLTYPRULPKDO-UHFFFAOYSA-N
XLogP15.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.12
LogP ≤ 515.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum with MolForge

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Related Compounds

4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2-Fluoro-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168278577
2-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168284340
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]-2-(trifluoromethyl)phenol
CID 168288168
1-(Benzo[f]pyrido[2,3-b]quinoxalin-5-yl)naphthalen-2-ol
CID 136007880
2-(11,13,18-Triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-8-yl)naphthalen-1-ol
CID 136007888
1-(15,17,22-Triazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16(21),17,19-decaen-10-yl)naphthalen-2-ol
CID 71591409
2,4-ditert-butyl-6-[1-phenyl-4-[6-[3-(N-phenylanilino)phenyl]-4-(trifluoromethyl)pyridin-2-yl]benzimidazol-2-yl]phenol
CID 137293660
3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol
CID 144941124
2-fluoro-4-[6-[5-(quinolin-6-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol
CID 149903509
2-fluoro-4-[6-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]-5-(2,2,2-trifluoroethyl)phenol
CID 151326178

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum?
The IUPAC name of 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum (CID 177109925) is 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum.
What is the SMILES notation for 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum?
The canonical SMILES for 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum is Cc1cc(C)c(-n2c(-c3ccc(C(F)(F)F)cc3O)nc3c(-c4[c-]c(-c5cccc6cccnc56)cc(C(C)C)c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)cc32)c(C)c1.[Pt].
What is the InChIKey of 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum?
The InChIKey is SPNLTYPRULPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H53F3N3O.Pt/c1-31(2)36-25-37(41-17-12-15-35-16-14-22-59-49(35)41)27-38(26-36)43-28-39(48-44(53(6,7)8)18-13-19-45(48)54(9,10)11)29-46-50(43)60-52(42-21-20-40(30-47(42)62)55(56,57)58)61(46)51-33(4)23-32(3)24-34(51)5;/h12-26,28-31,62H,1-11H3;/q-1;.
What are the key properties of 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum?
2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum has a molecular weight of 1024.12 g/mol, XLogP of 15.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum is sourced from PubChem (CID 177109925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).