2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum

C43H42N5OPt- — CID 169309430

About 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum

2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum (PubChem CID 169309430) has the molecular formula C43H42N5OPt- and a molecular weight of 839.92 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum
• PubChem CID: 169309430
• Molecular Formula: C43H42N5OPt-
• Molecular Weight: 839.92 g/mol
• Exact Mass: 839.30
• IUPAC Name: 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2ccc3nc4c5ccccc5n5c6ccccc6nc5n4c3n2)[c-]c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.[Pt]
• InChI: InChI=1S/C43H42N5O.Pt/c1-41(2,3)27-21-25(30-23-28(42(4,5)6)24-31(37(30)49)43(7,8)9)20-26(22-27)32-18-19-34-39(44-32)48-38(45-34)29-14-10-12-16-35(29)47-36-17-13-11-15-33(36)46-40(47)48;/h10-19,21-24,49H,1-9H3;/q-1
• InChIKey: WKNYITOYUWKPRZ-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 67.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.92
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum (CID 169309430) is 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum is CC(C)(C)c1cc(-c2ccc3nc4c5ccccc5n5c6ccccc6nc5n4c3n2)[c-]c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum?

The InChIKey is WKNYITOYUWKPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N5O.Pt/c1-41(2,3)27-21-25(30-23-28(42(4,5)6)24-31(37(30)49)43(7,8)9)20-26(22-27)32-18-19-34-39(44-32)48-38(45-34)29-14-10-12-16-35(29)47-36-17-13-11-15-33(36)46-40(47)48;/h10-19,21-24,49H,1-9H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum?

2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum has a molecular weight of 839.92 g/mol, XLogP of 10.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[3-tert-butyl-5-(2,4,9,17,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(24),3(8),4,6,9,11,13,15,18,20,22-undecaen-5-yl)benzene-6-id-1-yl]phenol;platinum is sourced from PubChem (CID 169309430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).