[1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum

C59H50N4Pt-2 — CID 176871147

About [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum (PubChem CID 176871147) has the molecular formula C59H50N4Pt-2 and a molecular weight of 1010.16 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum
• PubChem CID: 176871147
• Molecular Formula: C59H50N4Pt-2
• Molecular Weight: 1010.16 g/mol
• Exact Mass: 1009.37
• IUPAC Name: [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum
• SMILES: Cc1cc2c(cc1C)n(-c1ccccc1)c(=[Pt])n2-c1[c-]c(C2(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)c3ccccc3-c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C59H50N4.Pt/c1-38-30-54-55(31-39(38)2)62(37-61(54)44-18-10-9-11-19-44)45-33-42(58(6,7)8)32-43(34-45)59(50-23-15-12-20-46(50)47-21-13-16-24-51(47)59)41-26-27-49-48-22-14-17-25-52(48)63(53(49)35-41)56-36-40(28-29-60-56)57(3,4)5;/h9-33,36H,1-8H3;/q-2
• InChIKey: IJGABAPFDZVLDW-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.16
LogP ≤ 5	14.17
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 [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum (CID 176871147) is [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum is Cc1cc2c(cc1C)n(-c1ccccc1)c(=[Pt])n2-c1[c-]c(C2(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)c3ccccc3-c3ccccc32)cc(C(C)(C)C)c1.

What is the InChIKey of [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum?

The InChIKey is IJGABAPFDZVLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N4.Pt/c1-38-30-54-55(31-39(38)2)62(37-61(54)44-18-10-9-11-19-44)45-33-42(58(6,7)8)32-43(34-45)59(50-23-15-12-20-46(50)47-21-13-16-24-51(47)59)41-26-27-49-48-22-14-17-25-52(48)63(53(49)35-41)56-36-40(28-29-60-56)57(3,4)5;/h9-33,36H,1-8H3;/q-2;.

What are the key properties of [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum?

[1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum has a molecular weight of 1010.16 g/mol, XLogP of 14.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-tert-butyl-5-[9-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]-5,6-dimethyl-3-phenylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 176871147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).