[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum

C76H51N5O3Pt — CID 164804287

About [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum

[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 164804287) has the molecular formula C76H51N5O3Pt and a molecular weight of 1277.35 g/mol. Its IUPAC name is [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 164804287
• Molecular Formula: C76H51N5O3Pt
• Molecular Weight: 1277.35 g/mol
• Exact Mass: 1276.36
• IUPAC Name: [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7cccc8c7oc7ccccc78)cc(-n7c8ccccc8c8ccccc87)cc6-c6cccc7c6oc6ccccc67)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C76H51N5O3.Pt/c1-76(2,3)47-39-40-77-72(41-47)81-66-32-11-6-23-54(66)55-38-37-51(45-69(55)81)82-50-20-16-19-48(42-50)78-46-79(68-34-13-12-33-67(68)78)73-62(60-28-17-26-58-56-24-7-14-35-70(56)83-74(58)60)43-49(80-64-30-9-4-21-52(64)53-22-5-10-31-65(53)80)44-63(73)61-29-18-27-59-57-25-8-15-36-71(57)84-75(59)61;/h4-45H,1-3H3
• InChIKey: GJKPDHKXZQGANB-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 68.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.35
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum (CID 164804287) is [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7cccc8c7oc7ccccc78)cc(-n7c8ccccc8c8ccccc87)cc6-c6cccc7c6oc6ccccc67)c6ccccc65)c4)cc32)c1.

What is the InChIKey of [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is GJKPDHKXZQGANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51N5O3.Pt/c1-76(2,3)47-39-40-77-72(41-47)81-66-32-11-6-23-54(66)55-38-37-51(45-69(55)81)82-50-20-16-19-48(42-50)78-46-79(68-34-13-12-33-67(68)78)73-62(60-28-17-26-58-56-24-7-14-35-70(56)83-74(58)60)43-49(80-64-30-9-4-21-52(64)53-22-5-10-31-65(53)80)44-63(73)61-29-18-27-59-57-25-8-15-36-71(57)84-75(59)61;/h4-45H,1-3H3;.

What are the key properties of [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum?

[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1277.35 g/mol, XLogP of 20.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 164804287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).