3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)

C42H45N3Pt — CID 153433417

About 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)

3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+) (PubChem CID 153433417) has the molecular formula C42H45N3Pt and a molecular weight of 786.92 g/mol. Its IUPAC name is 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+).

Molecular Properties

• Compound Name: 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
• PubChem CID: 153433417
• Molecular Formula: C42H45N3Pt
• Molecular Weight: 786.92 g/mol
• Exact Mass: 786.33
• IUPAC Name: 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(C(C)(C)c2[c-]c3c4[c-]c(C(C)(C)c5cc(C(C)(C)C)ccn5)ccc4n(-c4ccccc4)c3cc2)c1.[Pt+2]
• InChI: InChI=1S/C42H45N3.Pt/c1-39(2,3)28-20-22-43-37(26-28)41(7,8)30-16-18-35-33(24-30)34-25-31(17-19-36(34)45(35)32-14-12-11-13-15-32)42(9,10)38-27-29(21-23-44-38)40(4,5)6;/h11-23,26-27H,1-10H3;/q-2;+2
• InChIKey: IGQHRHADQXLHLB-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.92
LogP ≤ 5	10.42
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-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The IUPAC name of 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+) (CID 153433417) is 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+).

What is the SMILES notation for 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The canonical SMILES for 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+) is CC(C)(C)c1ccnc(C(C)(C)c2[c-]c3c4[c-]c(C(C)(C)c5cc(C(C)(C)C)ccn5)ccc4n(-c4ccccc4)c3cc2)c1.[Pt+2].

What is the InChIKey of 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

The InChIKey is IGQHRHADQXLHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N3.Pt/c1-39(2,3)28-20-22-43-37(26-28)41(7,8)30-16-18-35-33(24-30)34-25-31(17-19-36(34)45(35)32-14-12-11-13-15-32)42(9,10)38-27-29(21-23-44-38)40(4,5)6;/h11-23,26-27H,1-10H3;/q-2;+2.

What are the key properties of 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+)?

3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+) has a molecular weight of 786.92 g/mol, XLogP of 10.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-9-phenyl-4,5-dihydrocarbazole-4,5-diide;platinum(2+) is sourced from PubChem (CID 153433417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).