2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum

C148H119N10O7Pt5S3-5 — CID 157371095

IUPAC2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3nccc4ccccc34)ccc2)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3oc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4sc(-c5ccccc5O)nc34)ccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C32H25N2O2.3C28H23N2OS.5Pt/c1-32(2,3)23-18-26(30-28(19-23)36-31(34-30)25-13-6-7-14-27(25)35)21-10-8-11-22(17-21)29-24-12-5-4-9-20(24)15-16-33-29;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;1-28(2,3)20-14-15-29-23(17-20)19-9-6-8-18(16-19)21-11-7-13-25-26(21)30-27(32-25)22-10-4-5-12-24(22)31;1-28(2,3)20-16-22(18-9-8-10-19(15-18)23-12-6-7-14-29-23)26-25(17-20)32-27(30-26)21-11-4-5-13-24(21)31;1-28(2,3)20-16-18(15-19(17-20)23-11-6-7-14-29-23)21-10-8-13-25-26(21)30-27(32-25)22-9-4-5-12-24(22)31;;;;;/h2*4-16,18-19,35H,1-3H3;4-15,17,31H,1-3H3;2*4-14,16-17,31H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyKSSPIEPKORHBSM-UHFFFAOYSA-N
MW3221.23 g/mol
LogP38.83
Rot. Bonds15

About 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum

2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum (PubChem CID 157371095) has the molecular formula C148H119N10O7Pt5S3-5 and a molecular weight of 3221.23 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
PubChem CID157371095
Molecular FormulaC148H119N10O7Pt5S3-5
Molecular Weight3221.23 g/mol
Exact Mass3218.67
IUPAC Name2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3nccc4ccccc34)ccc2)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3oc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4sc(-c5ccccc5O)nc34)ccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C32H25N2O2.3C28H23N2OS.5Pt/c1-32(2,3)23-18-26(30-28(19-23)36-31(34-30)25-13-6-7-14-27(25)35)21-10-8-11-22(17-21)29-24-12-5-4-9-20(24)15-16-33-29;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;1-28(2,3)20-14-15-29-23(17-20)19-9-6-8-18(16-19)21-11-7-13-25-26(21)30-27(32-25)22-10-4-5-12-24(22)31;1-28(2,3)20-16-22(18-9-8-10-19(15-18)23-12-6-7-14-29-23)26-25(17-20)32-27(30-26)21-11-4-5-13-24(21)31;1-28(2,3)20-16-18(15-19(17-20)23-11-6-7-14-29-23)21-10-8-13-25-26(21)30-27(32-25)22-9-4-5-12-24(22)31;;;;;/h2*4-16,18-19,35H,1-3H3;4-15,17,31H,1-3H3;2*4-14,16-17,31H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyKSSPIEPKORHBSM-UHFFFAOYSA-N
XLogP38.83
TPSA256.33 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003221.23
LogP ≤ 538.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
The IUPAC name of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum (CID 157371095) is 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)sc2c1.CC(C)(C)c1cc(-c2[c-]c(-c3nccc4ccccc34)ccc2)c2nc(-c3ccccc3O)oc2c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3oc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4sc(-c5ccccc5O)nc34)ccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
The InChIKey is KSSPIEPKORHBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H25N2O2.3C28H23N2OS.5Pt/c1-32(2,3)23-18-26(30-28(19-23)36-31(34-30)25-13-6-7-14-27(25)35)21-10-8-11-22(17-21)29-24-12-5-4-9-20(24)15-16-33-29;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;1-28(2,3)20-14-15-29-23(17-20)19-9-6-8-18(16-19)21-11-7-13-25-26(21)30-27(32-25)22-10-4-5-12-24(22)31;1-28(2,3)20-16-22(18-9-8-10-19(15-18)23-12-6-7-14-29-23)26-25(17-20)32-27(30-26)21-11-4-5-13-24(21)31;1-28(2,3)20-16-18(15-19(17-20)23-11-6-7-14-29-23)21-10-8-13-25-26(21)30-27(32-25)22-9-4-5-12-24(22)31;;;;;/h2*4-16,18-19,35H,1-3H3;4-15,17,31H,1-3H3;2*4-14,16-17,31H,1-3H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum?
2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum has a molecular weight of 3221.23 g/mol, XLogP of 38.83, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzothiazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;platinum is sourced from PubChem (CID 157371095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).