[1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C55H39N5OPt — CID 165167740

About [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 165167740) has the molecular formula C55H39N5OPt and a molecular weight of 981.03 g/mol. Its IUPAC name is [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 165167740
• Molecular Formula: C55H39N5OPt
• Molecular Weight: 981.03 g/mol
• Exact Mass: 980.28
• IUPAC Name: [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)nc2)cc(C)n1
• InChI: InChI=1S/C55H39N5O.Pt/c1-37-31-42(32-38(2)57-37)41-27-30-54(56-35-41)60-50-24-10-9-21-48(50)49-29-28-45(34-53(49)60)61-44-20-13-19-43(33-44)58-36-59(52-26-12-11-25-51(52)58)55-46(39-15-5-3-6-16-39)22-14-23-47(55)40-17-7-4-8-18-40;/h3-35H,1-2H3
• InChIKey: AWCPJJQCMSAEDW-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.03
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 165167740) is [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1cc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)nc2)cc(C)n1.

What is the InChIKey of [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is AWCPJJQCMSAEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5O.Pt/c1-37-31-42(32-38(2)57-37)41-27-30-54(56-35-41)60-50-24-10-9-21-48(50)49-29-28-45(34-53(49)60)61-44-20-13-19-43(33-44)58-36-59(52-26-12-11-25-51(52)58)55-46(39-15-5-3-6-16-39)22-14-23-47(55)40-17-7-4-8-18-40;/h3-35H,1-2H3;.

What are the key properties of [1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 981.03 g/mol, XLogP of 13.80, 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-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).