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

C46H42N5OPt-3 — CID 155794670

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

1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum (PubChem CID 155794670) has the molecular formula C46H42N5OPt-3 and a molecular weight of 875.95 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum
• PubChem CID: 155794670
• Molecular Formula: C46H42N5OPt-3
• Molecular Weight: 875.95 g/mol
• Exact Mass: 875.31
• IUPAC Name: 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2c1ccc1c2c2ccccc2n1C.[Pt]
• InChI: InChI=1S/C46H42N5O.Pt/c1-45(2,3)29-21-22-47-42(25-29)51-38-16-12-9-13-34(38)35-18-17-32(27-41(35)51)52-33-24-30(46(4,5)6)23-31(26-33)50-28-48(7)40-20-19-39-43(44(40)50)36-14-10-11-15-37(36)49(39)8;/h9-25,28H,1-8H3;/q-3
• InChIKey: YNHAXXSDQLAJMG-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.95
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	0
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 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum?

The IUPAC name of 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum (CID 155794670) is 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum.

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

The canonical SMILES for 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c2c1ccc1c2c2ccccc2n1C.[Pt].

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

The InChIKey is YNHAXXSDQLAJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42N5O.Pt/c1-45(2,3)29-21-22-47-42(25-29)51-38-16-12-9-13-34(38)35-18-17-32(27-41(35)51)52-33-24-30(46(4,5)6)23-31(26-33)50-28-48(7)40-20-19-39-43(44(40)50)36-14-10-11-15-37(36)49(39)8;/h9-25,28H,1-8H3;/q-3;.

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

1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum has a molecular weight of 875.95 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum is sourced from PubChem (CID 155794670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).