6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)

C37H32N4PtS — CID 155636049

About 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 155636049) has the molecular formula C37H32N4PtS and a molecular weight of 759.84 g/mol. Its IUPAC name is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 155636049
• Molecular Formula: C37H32N4PtS
• Molecular Weight: 759.84 g/mol
• Exact Mass: 759.20
• IUPAC Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cc(Sc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2ccccn2)c1.[Pt+2]
• InChI: InChI=1S/C37H32N4S.Pt/c1-36(2,3)25-11-14-33-31(20-25)30-13-12-28(23-34(30)41(33)35-21-26(15-17-40-35)37(4,5)6)42-29-19-24(18-27(22-29)38-7)32-10-8-9-16-39-32;/h8-18,20-22H,1-6H3;/q-2;+2
• InChIKey: YICMUEMLHNLSBL-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 35.07 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.84
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+) (CID 155636049) is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+) is [C-]#[N+]c1cc(Sc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-c2ccccn2)c1.[Pt+2].

What is the InChIKey of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YICMUEMLHNLSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4S.Pt/c1-36(2,3)25-11-14-33-31(20-25)30-13-12-28(23-34(30)41(33)35-21-26(15-17-40-35)37(4,5)6)42-29-19-24(18-27(22-29)38-7)32-10-8-9-16-39-32;/h8-18,20-22H,1-6H3;/q-2;+2.

What are the key properties of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)?

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 759.84 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 155636049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).