bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)

C70H60B2N4Pt — CID 59459777

About bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)

bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) (PubChem CID 59459777) has the molecular formula C70H60B2N4Pt and a molecular weight of 1173.98 g/mol. Its IUPAC name is bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+).

Molecular Properties

• Compound Name: bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
• PubChem CID: 59459777
• Molecular Formula: C70H60B2N4Pt
• Molecular Weight: 1173.98 g/mol
• Exact Mass: 1173.47
• IUPAC Name: bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1B1c2cc(-n3c4ccccc4c4ccccc43)c[c-]c2-c2ncccc21.CC(C)c1cccc(C(C)C)c1B1c2cc(-n3c4ccccc4c4ccccc43)c[c-]c2-c2ncccc21.[Pt+2]
• InChI: InChI=1S/2C35H30BN2.Pt/c2*1-22(2)25-13-9-14-26(23(3)4)34(25)36-30-15-10-20-37-35(30)29-19-18-24(21-31(29)36)38-32-16-7-5-11-27(32)28-12-6-8-17-33(28)38;/h2*5-18,20-23H,1-4H3;/q2*-1;+2
• InChIKey: WYWXUTWAENFQGO-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.98
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?

The IUPAC name of bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) (CID 59459777) is bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+).

What is the SMILES notation for bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?

The canonical SMILES for bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) is CC(C)c1cccc(C(C)C)c1B1c2cc(-n3c4ccccc4c4ccccc43)c[c-]c2-c2ncccc21.CC(C)c1cccc(C(C)C)c1B1c2cc(-n3c4ccccc4c4ccccc43)c[c-]c2-c2ncccc21.[Pt+2].

What is the InChIKey of bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?

The InChIKey is WYWXUTWAENFQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H30BN2.Pt/c2*1-22(2)25-13-9-14-26(23(3)4)34(25)36-30-15-10-20-37-35(30)29-19-18-24(21-31(29)36)38-32-16-7-5-11-27(32)28-12-6-8-17-33(28)38;/h2*5-18,20-23H,1-4H3;/q2*-1;+2.

What are the key properties of bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?

bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) has a molecular weight of 1173.98 g/mol, XLogP of 13.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) is sourced from PubChem (CID 59459777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).