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

C66H44N6OPt — CID 165167722

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

[1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 165167722) has the molecular formula C66H44N6OPt and a molecular weight of 1132.20 g/mol. Its IUPAC name is [1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 165167722
• Molecular Formula: C66H44N6OPt
• Molecular Weight: 1132.20 g/mol
• Exact Mass: 1131.32
• IUPAC Name: [1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(-n7c8ccccc8c8ccccc87)cc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccccn1
• InChI: InChI=1S/C66H44N6O.Pt/c1-44-37-65(68-42-57(44)58-28-16-17-36-67-58)72-61-31-13-10-27-53(61)54-35-34-50(41-64(54)72)73-49-24-18-23-47(38-49)69-43-70(63-33-15-14-32-62(63)69)66-55(45-19-4-2-5-20-45)39-48(40-56(66)46-21-6-3-7-22-46)71-59-29-11-8-25-51(59)52-26-9-12-30-60(52)71;/h2-42H,1H3
• InChIKey: AXFOMFDUDGQMCB-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 54.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.20
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 165167722) is [1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

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

The canonical SMILES for [1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(-n7c8ccccc8c8ccccc87)cc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccccn1.

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

The InChIKey is AXFOMFDUDGQMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N6O.Pt/c1-44-37-65(68-42-57(44)58-28-16-17-36-67-58)72-61-31-13-10-27-53(61)54-35-34-50(41-64(54)72)73-49-24-18-23-47(38-49)69-43-70(63-33-15-14-32-62(63)69)66-55(45-19-4-2-5-20-45)39-48(40-56(66)46-21-6-3-7-22-46)71-59-29-11-8-25-51(59)52-26-9-12-30-60(52)71;/h2-42H,1H3;.

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

[1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1132.20 g/mol, XLogP of 16.59, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).