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

C59H37N5O2Pt — CID 165167843

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

[1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 165167843) has the molecular formula C59H37N5O2Pt and a molecular weight of 1043.06 g/mol. Its IUPAC name is [1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 165167843
• Molecular Formula: C59H37N5O2Pt
• Molecular Weight: 1043.06 g/mol
• Exact Mass: 1042.26
• IUPAC Name: [1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: [Pt]=c1n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8ccncc8c67)cn5)c4c3)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C59H37N5O2.Pt/c1-3-14-39(15-4-1)46-22-12-23-47(40-16-5-2-6-17-40)59(46)63-38-62(52-25-9-10-26-53(52)63)42-18-11-19-43(34-42)65-44-29-30-49-48-20-7-8-24-51(48)64(54(49)35-44)57-31-28-41(36-61-57)45-21-13-27-56-58(45)50-37-60-33-32-55(50)66-56;/h1-37H
• InChIKey: VFAOXZNYKMNADD-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 62.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.06
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 165167843) is [1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-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-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is [Pt]=c1n(-c2cccc(Oc3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8ccncc8c67)cn5)c4c3)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.

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

The InChIKey is VFAOXZNYKMNADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5O2.Pt/c1-3-14-39(15-4-1)46-22-12-23-47(40-16-5-2-6-17-40)59(46)63-38-62(52-25-9-10-26-53(52)63)42-18-11-19-43(34-42)65-44-29-30-49-48-20-7-8-24-51(48)64(54(49)35-44)57-31-28-41(36-61-57)45-21-13-27-56-58(45)50-37-60-33-32-55(50)66-56;/h1-37H;.

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

[1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1043.06 g/mol, XLogP of 15.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[9-[5-([1]benzofuro[3,2-c]pyridin-9-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).