2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C50H43N4Pt-3 — CID 164700978

About 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 164700978) has the molecular formula C50H43N4Pt-3 and a molecular weight of 895.00 g/mol. Its IUPAC name is 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 164700978
• Molecular Formula: C50H43N4Pt-3
• Molecular Weight: 895.00 g/mol
• Exact Mass: 894.32
• IUPAC Name: 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1ccnc(-n2c3[c-]c(Cc4[c-]c(N5[CH-]N(c6ccccc6)c6ccccc65)cc(-c5c(C(C)C)cccc5C(C)C)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C50H43N4.Pt/c1-33(2)41-17-13-18-42(34(3)4)50(41)38-28-37(29-40(31-38)53-32-52(39-14-7-6-8-15-39)46-20-11-12-21-47(46)53)27-36-22-23-44-43-16-9-10-19-45(43)54(48(44)30-36)49-26-35(5)24-25-51-49;/h6-26,28,31-34H,27H2,1-5H3;/q-3
• InChIKey: UFJIDGYHHCMCME-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.00
LogP ≤ 5	13.00
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 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 164700978) is 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is Cc1ccnc(-n2c3[c-]c(Cc4[c-]c(N5[CH-]N(c6ccccc6)c6ccccc65)cc(-c5c(C(C)C)cccc5C(C)C)c4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is UFJIDGYHHCMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N4.Pt/c1-33(2)41-17-13-18-42(34(3)4)50(41)38-28-37(29-40(31-38)53-32-52(39-14-7-6-8-15-39)46-20-11-12-21-47(46)53)27-36-22-23-44-43-16-9-10-19-45(43)54(48(44)30-36)49-26-35(5)24-25-51-49;/h6-26,28,31-34H,27H2,1-5H3;/q-3;.

What are the key properties of 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 895.00 g/mol, XLogP of 13.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[2,6-di(propan-2-yl)phenyl]-5-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]methyl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164700978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).