9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)

C55H47N5Pt — CID 155623134

About 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 155623134) has the molecular formula C55H47N5Pt and a molecular weight of 973.09 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 155623134
• Molecular Formula: C55H47N5Pt
• Molecular Weight: 973.09 g/mol
• Exact Mass: 972.35
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: CC(C)N1CN(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C55H47N5.Pt/c1-38(2)57-37-58(51-29-15-14-28-50(51)57)42-22-16-23-43(35-42)59(54-45(39-18-8-6-9-19-39)25-17-26-46(54)40-20-10-7-11-21-40)44-30-31-48-47-24-12-13-27-49(47)60(52(48)36-44)53-34-41(32-33-56-53)55(3,4)5;/h6-34,38H,37H2,1-5H3;/q-2;+2
• InChIKey: UWNXBYJTRIRMLH-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.09
LogP ≤ 5	14.20
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-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 155623134) is 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) is CC(C)N1CN(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is UWNXBYJTRIRMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N5.Pt/c1-38(2)57-37-58(51-29-15-14-28-50(51)57)42-22-16-23-43(35-42)59(54-45(39-18-8-6-9-19-39)25-17-26-46(54)40-20-10-7-11-21-40)44-30-31-48-47-24-12-13-27-49(47)60(52(48)36-44)53-34-41(32-33-56-53)55(3,4)5;/h6-34,38H,37H2,1-5H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 973.09 g/mol, XLogP of 14.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 155623134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).