2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)

C46H50N5OPt+ — CID 168721410

About 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)

2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+) (PubChem CID 168721410) has the molecular formula C46H50N5OPt+ and a molecular weight of 884.02 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+).

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)
• PubChem CID: 168721410
• Molecular Formula: C46H50N5OPt+
• Molecular Weight: 884.02 g/mol
• Exact Mass: 883.37
• IUPAC Name: 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)
• SMILES: CC(C)(C)c1cc(-n2[c-][n+]3c(C(C)(C)n4[c-]c(-c5cc(-c6ccccc6C(C)(C)C)ccn5)c5ccncc54)ccc-3cc2)c(O)c(C(C)(C)C)c1.[Pt+2]
• InChI: InChI=1S/C46H50N5O.Pt/c1-43(2,3)31-25-37(45(7,8)9)42(52)39(26-31)49-23-20-32-16-17-41(50(32)29-49)46(10,11)51-28-35(34-19-21-47-27-40(34)51)38-24-30(18-22-48-38)33-14-12-13-15-36(33)44(4,5)6;/h12-27,52H,1-11H3;/q-1;+2
• InChIKey: FMTKJGYNNMPNAY-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.02
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)?

The IUPAC name of 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+) (CID 168721410) is 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+).

What is the SMILES notation for 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)?

The canonical SMILES for 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+) is CC(C)(C)c1cc(-n2[c-][n+]3c(C(C)(C)n4[c-]c(-c5cc(-c6ccccc6C(C)(C)C)ccn5)c5ccncc54)ccc-3cc2)c(O)c(C(C)(C)C)c1.[Pt+2].

What is the InChIKey of 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)?

The InChIKey is FMTKJGYNNMPNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N5O.Pt/c1-43(2,3)31-25-37(45(7,8)9)42(52)39(26-31)49-23-20-32-16-17-41(50(32)29-49)46(10,11)51-28-35(34-19-21-47-27-40(34)51)38-24-30(18-22-48-38)33-14-12-13-15-36(33)44(4,5)6;/h12-27,52H,1-11H3;/q-1;+2.

What are the key properties of 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+)?

2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+) has a molecular weight of 884.02 g/mol, XLogP of 10.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[7-[2-[3-[4-(2-tert-butylphenyl)-2-pyridinyl]-2H-pyrrolo[2,3-c]pyridin-2-id-1-yl]propan-2-yl]-1H-pyrrolo[1,2-c]pyrimidin-8-ium-1-id-2-yl]phenol;platinum(2+) is sourced from PubChem (CID 168721410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).