bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)

C78H60N6Pt — CID 162446559

About bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)

bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+) (PubChem CID 162446559) has the molecular formula C78H60N6Pt and a molecular weight of 1276.46 g/mol. Its IUPAC name is bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+).

Molecular Properties

• Compound Name: bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)
• PubChem CID: 162446559
• Molecular Formula: C78H60N6Pt
• Molecular Weight: 1276.46 g/mol
• Exact Mass: 1275.45
• IUPAC Name: bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]cccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)c1.CC(C)(C)c1ccnc(-n2c3[c-]cccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)c1.[Pt+2]
• InChI: InChI=1S/2C39H30N3.Pt/c2*1-39(2,3)27-22-23-40-37(25-27)42-33-17-9-7-14-30(33)32-24-26(20-21-35(32)42)29-16-11-19-36-38(29)31-15-8-10-18-34(31)41(36)28-12-5-4-6-13-28;/h2*4-16,18-25H,1-3H3;/q2*-1;+2
• InChIKey: SWRDDAURCVTQRP-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1276.46
LogP ≤ 5	20.08
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 bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)?

The IUPAC name of bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+) (CID 162446559) is bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+).

What is the SMILES notation for bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)?

The canonical SMILES for bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]cccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)c1.CC(C)(C)c1ccnc(-n2c3[c-]cccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc32)c1.[Pt+2].

What is the InChIKey of bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)?

The InChIKey is SWRDDAURCVTQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H30N3.Pt/c2*1-39(2,3)27-22-23-40-37(25-27)42-33-17-9-7-14-30(33)32-24-26(20-21-35(32)42)29-16-11-19-36-38(29)31-15-8-10-18-34(31)41(36)28-12-5-4-6-13-28;/h2*4-16,18-25H,1-3H3;/q2*-1;+2.

What are the key properties of bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)?

bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+) has a molecular weight of 1276.46 g/mol, XLogP of 20.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+) is sourced from PubChem (CID 162446559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).