[1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C60H38N4O2Pt — CID 165167607

About [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 165167607) has the molecular formula C60H38N4O2Pt and a molecular weight of 1042.07 g/mol. Its IUPAC name is [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 165167607
• Molecular Formula: C60H38N4O2Pt
• Molecular Weight: 1042.07 g/mol
• Exact Mass: 1041.26
• IUPAC Name: [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: [Pt]=c1n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cn5)c4c3)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C60H38N4O2.Pt/c1-3-15-40(16-4-1)47-23-14-24-48(41-17-5-2-6-18-41)60(47)63-39-62(54-26-10-11-27-55(54)63)44-19-13-20-45(36-44)65-46-31-33-50-49-21-7-9-25-53(49)64(56(50)37-46)59-34-30-43(38-61-59)42-29-32-52-51-22-8-12-28-57(51)66-58(52)35-42;/h1-38H
• InChIKey: HIUIBNVPRVFIDN-UHFFFAOYSA-N
• XLogP: 15.68
• TPSA: 50.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1042.07
LogP ≤ 5	15.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 165167607) is [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is [Pt]=c1n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cn5)c4c3)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is HIUIBNVPRVFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O2.Pt/c1-3-15-40(16-4-1)47-23-14-24-48(41-17-5-2-6-18-41)60(47)63-39-62(54-26-10-11-27-55(54)63)44-19-13-20-45(36-44)65-46-31-33-50-49-21-7-9-25-53(49)64(56(50)37-46)59-34-30-43(38-61-59)42-29-32-52-51-22-8-12-28-57(51)66-58(52)35-42;/h1-38H;.

What are the key properties of [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1042.07 g/mol, XLogP of 15.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[9-(5-dibenzofuran-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).