2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C49H49N4OPt-3 — CID 155651340

About 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 155651340) has the molecular formula C49H49N4OPt-3 and a molecular weight of 905.04 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 155651340
• Molecular Formula: C49H49N4OPt-3
• Molecular Weight: 905.04 g/mol
• Exact Mass: 904.36
• IUPAC Name: 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc2c(cc1C)N(c1cccc(C(C)(C)C)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C(C)(C)C)ccn2)ccc1.[Pt]
• InChI: InChI=1S/C49H49N4O.Pt/c1-32-25-44-45(26-33(32)2)52(31-51(44)36-16-13-15-34(27-36)47(3,4)5)37-17-14-18-38(29-37)54-39-21-22-41-40-19-11-12-20-42(40)53(43(41)30-39)46-28-35(23-24-50-46)49(9,10)48(6,7)8;/h11-28,31H,1-10H3;/q-3
• InChIKey: KLMRPYCKONKUJW-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.04
LogP ≤ 5	13.22
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 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 155651340) is 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1cc2c(cc1C)N(c1cccc(C(C)(C)C)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C(C)(C)C)ccn2)ccc1.[Pt].

What is the InChIKey of 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is KLMRPYCKONKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H49N4O.Pt/c1-32-25-44-45(26-33(32)2)52(31-51(44)36-16-13-15-34(27-36)47(3,4)5)37-17-14-18-38(29-37)54-39-21-22-41-40-19-11-12-20-42(40)53(43(41)30-39)46-28-35(23-24-50-46)49(9,10)48(6,7)8;/h11-28,31H,1-10H3;/q-3;.

What are the key properties of 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 905.04 g/mol, XLogP of 13.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,3,3-trimethylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).