9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)

C57H40N6Pt — CID 176643442

About 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)

9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) (PubChem CID 176643442) has the molecular formula C57H40N6Pt and a molecular weight of 1004.07 g/mol. Its IUPAC name is 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+).

Molecular Properties

• Compound Name: 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)
• PubChem CID: 176643442
• Molecular Formula: C57H40N6Pt
• Molecular Weight: 1004.07 g/mol
• Exact Mass: 1003.30
• IUPAC Name: 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)
• SMILES: CC(C)(C)c1ccc(-c2[c-]c(-n3c4ccccc4c4cccnc43)cc(-c3ccccc3)c2)c2nc(-c3cc(-c4ccncc4)cc4c3[n-]c3ccccc34)n(-c3ccccc3)c12.[Pt+2]
• InChI: InChI=1S/C57H40N6.Pt/c1-57(2,3)49-25-24-43(40-31-38(36-15-6-4-7-16-36)32-42(33-40)62-51-23-13-11-20-45(51)46-21-14-28-59-55(46)62)53-54(49)63(41-17-8-5-9-18-41)56(61-53)48-35-39(37-26-29-58-30-27-37)34-47-44-19-10-12-22-50(44)60-52(47)48;/h4-32,34-35H,1-3H3;/q-2;+2
• InChIKey: UOZJOLLRDPFMDD-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 62.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.07
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The IUPAC name of 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) (CID 176643442) is 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+).

What is the SMILES notation for 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The canonical SMILES for 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) is CC(C)(C)c1ccc(-c2[c-]c(-n3c4ccccc4c4cccnc43)cc(-c3ccccc3)c2)c2nc(-c3cc(-c4ccncc4)cc4c3[n-]c3ccccc34)n(-c3ccccc3)c12.[Pt+2].

What is the InChIKey of 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The InChIKey is UOZJOLLRDPFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N6.Pt/c1-57(2,3)49-25-24-43(40-31-38(36-15-6-4-7-16-36)32-42(33-40)62-51-23-13-11-20-45(51)46-21-14-28-59-55(46)62)53-54(49)63(41-17-8-5-9-18-41)56(61-53)48-35-39(37-26-29-58-30-27-37)34-47-44-19-10-12-22-50(44)60-52(47)48;/h4-32,34-35H,1-3H3;/q-2;+2.

What are the key properties of 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) has a molecular weight of 1004.07 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[7-tert-butyl-1-phenyl-2-(3-pyridin-4-ylcarbazol-9-id-1-yl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 176643442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).