9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C43H39N5OPt — CID 155636233

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 155636233) has the molecular formula C43H39N5OPt and a molecular weight of 836.90 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 155636233
• Molecular Formula: C43H39N5OPt
• Molecular Weight: 836.90 g/mol
• Exact Mass: 836.28
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2nccn2-c2c(C(C)C)cccc2C(C)C)c1.[Pt+2]
• InChI: InChI=1S/C43H39N5O.Pt/c1-27(2)34-13-11-14-35(28(3)4)41(34)47-21-20-46-42(47)29-22-31(44-8)25-33(23-29)49-32-16-17-37-36-12-9-10-15-38(36)48(39(37)26-32)40-24-30(18-19-45-40)43(5,6)7;/h9-22,24-25,27-28H,1-7H3;/q-2;+2
• InChIKey: NQHNAXZLVJEQQZ-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 49.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.90
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 155636233) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2nccn2-c2c(C(C)C)cccc2C(C)C)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is NQHNAXZLVJEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N5O.Pt/c1-27(2)34-13-11-14-35(28(3)4)41(34)47-21-20-46-42(47)29-22-31(44-8)25-33(23-29)49-32-16-17-37-36-12-9-10-15-38(36)48(39(37)26-32)40-24-30(18-19-45-40)43(5,6)7;/h9-22,24-25,27-28H,1-7H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 836.90 g/mol, XLogP of 11.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 155636233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).