6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)

C44H43N3OPt — CID 153421062

About 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)

6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421062) has the molecular formula C44H43N3OPt and a molecular weight of 824.93 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153421062
• Molecular Formula: C44H43N3OPt
• Molecular Weight: 824.93 g/mol
• Exact Mass: 824.31
• IUPAC Name: 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)(C)c1cc(Oc2cc(C(C)(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc3ccccc3cn2)c1.[Pt+2]
• InChI: InChI=1S/C44H43N3O.Pt/c1-42(2,3)32-15-17-38-37(25-32)36-16-14-29(22-39(36)47(38)40-23-28-12-10-11-13-30(28)27-46-40)31-20-34(44(7,8)9)24-35(21-31)48-41-26-33(18-19-45-41)43(4,5)6;/h10-20,23-27H,1-9H3;/q-2;+2
• InChIKey: GOYJFJSVAWICOJ-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.93
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+) (CID 153421062) is 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+) is CC(C)(C)c1cc(Oc2cc(C(C)(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc3ccccc3cn2)c1.[Pt+2].

What is the InChIKey of 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is GOYJFJSVAWICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N3O.Pt/c1-42(2,3)32-15-17-38-37(25-32)36-16-14-29(22-39(36)47(38)40-23-28-12-10-11-13-30(28)27-46-40)31-20-34(44(7,8)9)24-35(21-31)48-41-26-33(18-19-45-41)43(4,5)6;/h10-20,23-27H,1-9H3;/q-2;+2.

What are the key properties of 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+)?

6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 824.93 g/mol, XLogP of 11.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-isoquinolin-3-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).