2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol

C162H201N9O6Pt4S-4 — CID 157312289

IUPAC2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc2o1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc2s1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)cc4ccccc34)cccc2o1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C30H22N3O.2C28H17N2O2.C28H17N2OS.16C3H8.4Pt/c1-2-33-27-15-9-13-23(29(27)32-30(33)24-12-5-6-16-28(24)34)21-18-20-10-3-4-11-22(20)25(19-21)26-14-7-8-17-31-26;31-25-13-4-3-10-22(25)28-30-27-21(11-7-14-26(27)32-28)23-17-19(24-12-5-6-15-29-24)16-18-8-1-2-9-20(18)23;2*31-25-13-4-3-10-22(25)28-30-27-21(11-7-14-26(27)32-28)19-16-18-8-1-2-9-20(18)23(17-19)24-12-5-6-15-29-24;16*1-3-2;;;;/h3-18,34H,2H2,1H3;3*1-16,31H;16*3H2,1-2H3;;;;/q4*-1;;;;;;;;;;;;;;;;;;;;
InChIKeyZXQZWVVFJZYOCG-UHFFFAOYSA-N
MW3182.83 g/mol
LogP50.88
Rot. Bonds13

About 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol

2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol (PubChem CID 157312289) has the molecular formula C162H201N9O6Pt4S-4 and a molecular weight of 3182.83 g/mol. Its IUPAC name is 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol
PubChem CID157312289
Molecular FormulaC162H201N9O6Pt4S-4
Molecular Weight3182.83 g/mol
Exact Mass3180.40
IUPAC Name2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc2o1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc2s1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)cc4ccccc34)cccc2o1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C30H22N3O.2C28H17N2O2.C28H17N2OS.16C3H8.4Pt/c1-2-33-27-15-9-13-23(29(27)32-30(33)24-12-5-6-16-28(24)34)21-18-20-10-3-4-11-22(20)25(19-21)26-14-7-8-17-31-26;31-25-13-4-3-10-22(25)28-30-27-21(11-7-14-26(27)32-28)23-17-19(24-12-5-6-15-29-24)16-18-8-1-2-9-20(18)23;2*31-25-13-4-3-10-22(25)28-30-27-21(11-7-14-26(27)32-28)19-16-18-8-1-2-9-20(18)23(17-19)24-12-5-6-15-29-24;16*1-3-2;;;;/h3-18,34H,2H2,1H3;3*1-16,31H;16*3H2,1-2H3;;;;/q4*-1;;;;;;;;;;;;;;;;;;;;
InChIKeyZXQZWVVFJZYOCG-UHFFFAOYSA-N
XLogP50.88
TPSA215.25 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003182.83
LogP ≤ 550.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol (CID 157312289) is 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol is CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc2o1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)c4ccccc4c3)cccc2s1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4ccccn4)cc4ccccc34)cccc2o1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol?
The InChIKey is ZXQZWVVFJZYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N3O.2C28H17N2O2.C28H17N2OS.16C3H8.4Pt/c1-2-33-27-15-9-13-23(29(27)32-30(33)24-12-5-6-16-28(24)34)21-18-20-10-3-4-11-22(20)25(19-21)26-14-7-8-17-31-26;31-25-13-4-3-10-22(25)28-30-27-21(11-7-14-26(27)32-28)23-17-19(24-12-5-6-15-29-24)16-18-8-1-2-9-20(18)23;2*31-25-13-4-3-10-22(25)28-30-27-21(11-7-14-26(27)32-28)19-16-18-8-1-2-9-20(18)23(17-19)24-12-5-6-15-29-24;16*1-3-2;;;;/h3-18,34H,2H2,1H3;3*1-16,31H;16*3H2,1-2H3;;;;/q4*-1;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol?
2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol has a molecular weight of 3182.83 g/mol, XLogP of 50.88, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)benzimidazol-2-yl]phenol;platinum;propane;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 157312289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).