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

C57H43N5Pt — CID 155623092

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

N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 155623092) has the molecular formula C57H43N5Pt and a molecular weight of 993.08 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 155623092
• Molecular Formula: C57H43N5Pt
• Molecular Weight: 993.08 g/mol
• Exact Mass: 992.32
• IUPAC Name: N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(c6ccccc6)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C57H43N5.Pt/c1-40(2)43-34-35-58-56(36-43)62-52-29-13-12-26-50(52)51-33-32-47(38-55(51)62)61(57-48(41-18-6-3-7-19-41)27-17-28-49(57)42-20-8-4-9-21-42)46-25-16-24-45(37-46)60-39-59(44-22-10-5-11-23-44)53-30-14-15-31-54(53)60;/h3-36,40H,39H2,1-2H3;/q-2;+2
• InChIKey: ITJSXOGCTLNRFI-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.08
LogP ≤ 5	14.95
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 N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) (CID 155623092) is N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+).

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

The canonical SMILES for N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) is CC(C)c1ccnc(-n2c3[c-]c(N(c4[c-]c(N5CN(c6ccccc6)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is ITJSXOGCTLNRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N5.Pt/c1-40(2)43-34-35-58-56(36-43)62-52-29-13-12-26-50(52)51-33-32-47(38-55(51)62)61(57-48(41-18-6-3-7-19-41)27-17-28-49(57)42-20-8-4-9-21-42)46-25-16-24-45(37-46)60-39-59(44-22-10-5-11-23-44)53-30-14-15-31-54(53)60;/h3-36,40H,39H2,1-2H3;/q-2;+2.

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

N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 993.08 g/mol, XLogP of 14.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 155623092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).