3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)

C50H41N3Pt — CID 168820079

About 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)

3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+) (PubChem CID 168820079) has the molecular formula C50H41N3Pt and a molecular weight of 878.98 g/mol. Its IUPAC name is 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+).

Molecular Properties

• Compound Name: 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)
• PubChem CID: 168820079
• Molecular Formula: C50H41N3Pt
• Molecular Weight: 878.98 g/mol
• Exact Mass: 878.29
• IUPAC Name: 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)
• SMILES: Cc1cccc(-c2[c-]c3c(cc2)c2ccccc2n3-c2ccc3c(n2)-c2[c-]cccc2C32c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)n1.[Pt+2]
• InChI: InChI=1S/C50H41N3.Pt/c1-30-13-12-17-43(51-30)31-19-22-35-34-14-9-11-18-44(34)53(45(35)27-31)46-26-25-42-47(52-46)36-15-8-10-16-39(36)50(42)40-23-20-32(48(2,3)4)28-37(40)38-29-33(49(5,6)7)21-24-41(38)50;/h8-14,16-26,28-29H,1-7H3;/q-2;+2
• InChIKey: QDNZWSOGUUJNPA-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.98
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)?

The IUPAC name of 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+) (CID 168820079) is 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+).

What is the SMILES notation for 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)?

The canonical SMILES for 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+) is Cc1cccc(-c2[c-]c3c(cc2)c2ccccc2n3-c2ccc3c(n2)-c2[c-]cccc2C32c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)n1.[Pt+2].

What is the InChIKey of 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)?

The InChIKey is QDNZWSOGUUJNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N3.Pt/c1-30-13-12-17-43(51-30)31-19-22-35-34-14-9-11-18-44(34)53(45(35)27-31)46-26-25-42-47(52-46)36-15-8-10-16-39(36)50(42)40-23-20-32(48(2,3)4)28-37(40)38-29-33(49(5,6)7)21-24-41(38)50;/h8-14,16-26,28-29H,1-7H3;/q-2;+2.

What are the key properties of 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+)?

3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+) has a molecular weight of 878.98 g/mol, XLogP of 12.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3',6'-ditert-butyl-2-[2-(6-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];platinum(2+) is sourced from PubChem (CID 168820079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).