2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol

C145H130N15O5Pt5-5 — CID 158826407

IUPAC2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol
SMILESCC(C)(c1ccccn1)c1[n-]c(-c2cccc(-c3ccccc3O)n2)c2ccccc12.CC(C)(c1ccccn1)c1ccc(-c2cc3ccccc3c(-c3ccccc3O)n2)[n-]1.CC(C)(c1ccccn1)c1ccc(-c2nc(-c3ccccc3O)cc3ccccc23)[n-]1.CC(C)Cc1cc(-c2ccccc2O)nc(-c2[n-]c(C(C)(C)c3ccccn3)c3ccccc23)c1.Cc1c(-c2cc3ccccc3c(-c3cccc(C(C)(C)C)c3O)n2)[n-]c(C(C)(C)c2ccccn2)c1C.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C33H34N3O.C31H30N3O.3C27H22N3O.5Pt/c1-20-21(2)31(33(6,7)27-17-10-11-18-34-27)36-28(20)26-19-22-13-8-9-14-23(22)29(35-26)24-15-12-16-25(30(24)37)32(3,4)5;1-20(2)17-21-18-25(24-13-7-8-14-27(24)35)33-26(19-21)29-22-11-5-6-12-23(22)30(34-29)31(3,4)28-15-9-10-16-32-28;1-27(2,24-16-7-8-17-28-24)26-19-11-4-3-10-18(19)25(30-26)22-14-9-13-21(29-22)20-12-5-6-15-23(20)31;1-27(2,24-13-7-8-16-28-24)25-15-14-21(29-25)22-17-18-9-3-4-10-19(18)26(30-22)20-11-5-6-12-23(20)31;1-27(2,24-13-7-8-16-28-24)25-15-14-21(29-25)26-19-10-4-3-9-18(19)17-22(30-26)20-11-5-6-12-23(20)31;;;;;/h8-19H,1-7H3,(H-,35,36,37);5-16,18-20H,17H2,1-4H3,(H-,33,34,35);3*3-17H,1-2H3,(H-,29,30,31);;;;;/q5*-1;;;;;
InChIKeyUHPFTHCRAHTITF-UHFFFAOYSA-N
MW3138.12 g/mol
LogP32.86
Rot. Bonds22

About 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol

2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol (PubChem CID 158826407) has the molecular formula C145H130N15O5Pt5-5 and a molecular weight of 3138.12 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol
PubChem CID158826407
Molecular FormulaC145H130N15O5Pt5-5
Molecular Weight3138.12 g/mol
Exact Mass3135.86
IUPAC Name2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol
SMILESCC(C)(c1ccccn1)c1[n-]c(-c2cccc(-c3ccccc3O)n2)c2ccccc12.CC(C)(c1ccccn1)c1ccc(-c2cc3ccccc3c(-c3ccccc3O)n2)[n-]1.CC(C)(c1ccccn1)c1ccc(-c2nc(-c3ccccc3O)cc3ccccc23)[n-]1.CC(C)Cc1cc(-c2ccccc2O)nc(-c2[n-]c(C(C)(C)c3ccccn3)c3ccccc23)c1.Cc1c(-c2cc3ccccc3c(-c3cccc(C(C)(C)C)c3O)n2)[n-]c(C(C)(C)c2ccccn2)c1C.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C33H34N3O.C31H30N3O.3C27H22N3O.5Pt/c1-20-21(2)31(33(6,7)27-17-10-11-18-34-27)36-28(20)26-19-22-13-8-9-14-23(22)29(35-26)24-15-12-16-25(30(24)37)32(3,4)5;1-20(2)17-21-18-25(24-13-7-8-14-27(24)35)33-26(19-21)29-22-11-5-6-12-23(22)30(34-29)31(3,4)28-15-9-10-16-32-28;1-27(2,24-16-7-8-17-28-24)26-19-11-4-3-10-18(19)25(30-26)22-14-9-13-21(29-22)20-12-5-6-15-23(20)31;1-27(2,24-13-7-8-16-28-24)25-15-14-21(29-25)22-17-18-9-3-4-10-19(18)26(30-22)20-11-5-6-12-23(20)31;1-27(2,24-13-7-8-16-28-24)25-15-14-21(29-25)26-19-10-4-3-9-18(19)17-22(30-26)20-11-5-6-12-23(20)31;;;;;/h8-19H,1-7H3,(H-,35,36,37);5-16,18-20H,17H2,1-4H3,(H-,33,34,35);3*3-17H,1-2H3,(H-,29,30,31);;;;;/q5*-1;;;;;
InChIKeyUHPFTHCRAHTITF-UHFFFAOYSA-N
XLogP32.86
TPSA300.55 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003138.12
LogP ≤ 532.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol?
The IUPAC name of 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol (CID 158826407) is 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol?
The canonical SMILES for 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol is CC(C)(c1ccccn1)c1[n-]c(-c2cccc(-c3ccccc3O)n2)c2ccccc12.CC(C)(c1ccccn1)c1ccc(-c2cc3ccccc3c(-c3ccccc3O)n2)[n-]1.CC(C)(c1ccccn1)c1ccc(-c2nc(-c3ccccc3O)cc3ccccc23)[n-]1.CC(C)Cc1cc(-c2ccccc2O)nc(-c2[n-]c(C(C)(C)c3ccccn3)c3ccccc23)c1.Cc1c(-c2cc3ccccc3c(-c3cccc(C(C)(C)C)c3O)n2)[n-]c(C(C)(C)c2ccccn2)c1C.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol?
The InChIKey is UHPFTHCRAHTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N3O.C31H30N3O.3C27H22N3O.5Pt/c1-20-21(2)31(33(6,7)27-17-10-11-18-34-27)36-28(20)26-19-22-13-8-9-14-23(22)29(35-26)24-15-12-16-25(30(24)37)32(3,4)5;1-20(2)17-21-18-25(24-13-7-8-14-27(24)35)33-26(19-21)29-22-11-5-6-12-23(22)30(34-29)31(3,4)28-15-9-10-16-32-28;1-27(2,24-16-7-8-17-28-24)26-19-11-4-3-10-18(19)25(30-26)22-14-9-13-21(29-22)20-12-5-6-15-23(20)31;1-27(2,24-13-7-8-16-28-24)25-15-14-21(29-25)22-17-18-9-3-4-10-19(18)26(30-22)20-11-5-6-12-23(20)31;1-27(2,24-13-7-8-16-28-24)25-15-14-21(29-25)26-19-10-4-3-9-18(19)17-22(30-26)20-11-5-6-12-23(20)31;;;;;/h8-19H,1-7H3,(H-,35,36,37);5-16,18-20H,17H2,1-4H3,(H-,33,34,35);3*3-17H,1-2H3,(H-,29,30,31);;;;;/q5*-1;;;;;.
What are the key properties of 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol?
2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol has a molecular weight of 3138.12 g/mol, XLogP of 32.86, 22 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[3-[3,4-dimethyl-5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol;2-[4-(2-methylpropyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;platinum;2-[6-[3-(2-pyridin-2-ylpropan-2-yl)isoindol-2-id-1-yl]-2-pyridinyl]phenol;2-[1-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-3-yl]phenol;2-[3-[5-(2-pyridin-2-ylpropan-2-yl)pyrrol-1-id-2-yl]isoquinolin-1-yl]phenol is sourced from PubChem (CID 158826407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).