platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide

C49H40N4Pt — CID 167401908

About platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide

platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide (PubChem CID 167401908) has the molecular formula C49H40N4Pt and a molecular weight of 879.97 g/mol. Its IUPAC name is platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide
• PubChem CID: 167401908
• Molecular Formula: C49H40N4Pt
• Molecular Weight: 879.97 g/mol
• Exact Mass: 879.29
• IUPAC Name: platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6CN(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C49H40N4.Pt/c1-32(2)34-26-27-50-48(28-34)53-44-21-10-7-18-40(44)41-25-24-36(30-47(41)53)49(42-19-8-5-16-38(42)39-17-6-9-20-43(39)49)35-14-13-15-37(29-35)52-31-51(33(3)4)45-22-11-12-23-46(45)52;/h5-28,32-33H,31H2,1-4H3;/q-2;+2
• InChIKey: VSVVPVFILDLSQM-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.97
LogP ≤ 5	11.59
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 platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide?

The IUPAC name of platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide (CID 167401908) is platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide.

What is the SMILES notation for platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide?

The canonical SMILES for platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide is CC(C)c1ccnc(-n2c3[c-]c(C4(c5[c-]c(N6CN(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide?

The InChIKey is VSVVPVFILDLSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N4.Pt/c1-32(2)34-26-27-50-48(28-34)53-44-21-10-7-18-40(44)41-25-24-36(30-47(41)53)49(42-19-8-5-16-38(42)39-17-6-9-20-43(39)49)35-14-13-15-37(29-35)52-31-51(33(3)4)45-22-11-12-23-46(45)52;/h5-28,32-33H,31H2,1-4H3;/q-2;+2.

What are the key properties of platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide?

platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide has a molecular weight of 879.97 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide is sourced from PubChem (CID 167401908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).