[1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum

C68H52N4O3Pt-2 — CID 171056712

About [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum

[1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum (PubChem CID 171056712) has the molecular formula C68H52N4O3Pt-2 and a molecular weight of 1168.27 g/mol. Its IUPAC name is [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum
• PubChem CID: 171056712
• Molecular Formula: C68H52N4O3Pt-2
• Molecular Weight: 1168.27 g/mol
• Exact Mass: 1167.37
• IUPAC Name: [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc7c(c6-c6ccccc6)CC(=O)C6CC(=O)CC76)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C2CCCCC2)cc1
• InChI: InChI=1S/C68H52N4O3.Pt/c1-43-34-66(69-41-60(43)47-30-28-45(29-31-47)44-16-5-2-6-17-44)72-61-25-12-11-24-53(61)54-33-32-52(38-64(54)72)75-51-23-15-22-49(35-51)70-42-71(63-27-14-13-26-62(63)70)68-55(46-18-7-3-8-19-46)39-57-56-36-50(73)37-58(56)65(74)40-59(57)67(68)48-20-9-4-10-21-48;/h3-4,7-15,18-34,39,41,44,56,58H,2,5-6,16-17,36-37,40H2,1H3;/q-2
• InChIKey: MTCIAYQZHTYALQ-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 71.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1168.27
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum (CID 171056712) is [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc7c(c6-c6ccccc6)CC(=O)C6CC(=O)CC76)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C2CCCCC2)cc1.

What is the InChIKey of [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum?

The InChIKey is MTCIAYQZHTYALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N4O3.Pt/c1-43-34-66(69-41-60(43)47-30-28-45(29-31-47)44-16-5-2-6-17-44)72-61-25-12-11-24-53(61)54-33-32-52(38-64(54)72)75-51-23-15-22-49(35-51)70-42-71(63-27-14-13-26-62(63)70)68-55(46-18-7-3-8-19-46)39-57-56-36-50(73)37-58(56)65(74)40-59(57)67(68)48-20-9-4-10-21-48;/h3-4,7-15,18-34,39,41,44,56,58H,2,5-6,16-17,36-37,40H2,1H3;/q-2;.

What are the key properties of [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum?

[1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum has a molecular weight of 1168.27 g/mol, XLogP of 15.93, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171056712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).