2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C51H48N3OPt- — CID 140832103

IUPAC2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cc(-c2ccc(-c3ccccc3)cn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2cccc3ccccc23)c1.[Pt]
InChIInChI=1S/C51H48N3O.Pt/c1-32(2)36-26-37(28-38(27-36)44-25-24-35(31-52-44)33-16-10-9-11-17-33)41-21-15-23-46-47(41)53-49(54(46)45-22-14-19-34-18-12-13-20-40(34)45)42-29-39(50(3,4)5)30-43(48(42)55)51(6,7)8;/h9-27,29-32,55H,1-8H3;/q-1;
InChIKeyFGWYFIFOKYIRMV-UHFFFAOYSA-N
MW914.04 g/mol
LogP13.46
Rot. Bonds6

About 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 140832103) has the molecular formula C51H48N3OPt- and a molecular weight of 914.04 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID140832103
Molecular FormulaC51H48N3OPt-
Molecular Weight914.04 g/mol
Exact Mass913.35
IUPAC Name2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cc(-c2ccc(-c3ccccc3)cn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2cccc3ccccc23)c1.[Pt]
InChIInChI=1S/C51H48N3O.Pt/c1-32(2)36-26-37(28-38(27-36)44-25-24-35(31-52-44)33-16-10-9-11-17-33)41-21-15-23-46-47(41)53-49(54(46)45-22-14-19-34-18-12-13-20-40(34)45)42-29-39(50(3,4)5)30-43(48(42)55)51(6,7)8;/h9-27,29-32,55H,1-8H3;/q-1;
InChIKeyFGWYFIFOKYIRMV-UHFFFAOYSA-N
XLogP13.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.04
LogP ≤ 513.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
2,6-Dimethyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168280997
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168281720
2,6-Dimethyl-4-(3-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 117769677
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
1-[(E)-({2-Phenylimidazo[1,2-A]pyridin-8-YL}imino)methyl]naphthalen-2-OL
CID 5179800
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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 140832103) is 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)c1cc(-c2ccc(-c3ccccc3)cn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2cccc3ccccc23)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is FGWYFIFOKYIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48N3O.Pt/c1-32(2)36-26-37(28-38(27-36)44-25-24-35(31-52-44)33-16-10-9-11-17-33)41-21-15-23-46-47(41)53-49(54(46)45-22-14-19-34-18-12-13-20-40(34)45)42-29-39(50(3,4)5)30-43(48(42)55)51(6,7)8;/h9-27,29-32,55H,1-8H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 914.04 g/mol, XLogP of 13.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-[3-(5-phenyl-2-pyridinyl)-5-propan-2-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 140832103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).