[1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum

C67H42N4O2Pt — CID 177099172

About [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 177099172) has the molecular formula C67H42N4O2Pt and a molecular weight of 1130.18 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 177099172
• Molecular Formula: C67H42N4O2Pt
• Molecular Weight: 1130.18 g/mol
• Exact Mass: 1129.30
• IUPAC Name: [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum
• SMILES: [Pt]=c1n(-c2cccc(Oc3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)C3(c4ccccc4Oc4ccccc43)c3ccccc3-6)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C67H42N4O2.Pt/c1-3-19-44(20-4-1)49-26-18-27-50(45-21-5-2-6-22-45)66(49)70-43-69(59-31-11-12-32-60(59)70)46-23-17-24-47(39-46)72-48-36-37-52-54-41-53-51-25-7-8-28-55(51)67(56-29-9-13-33-63(56)73-64-34-14-10-30-57(64)67)58(53)42-62(54)71(61(52)40-48)65-35-15-16-38-68-65;/h1-42H
• InChIKey: OJHQOPRUFZZBOV-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 46.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.18
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum (CID 177099172) is [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum is [Pt]=c1n(-c2cccc(Oc3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)C3(c4ccccc4Oc4ccccc43)c3ccccc3-6)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is OJHQOPRUFZZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N4O2.Pt/c1-3-19-44(20-4-1)49-26-18-27-50(45-21-5-2-6-22-45)66(49)70-43-69(59-31-11-12-32-60(59)70)46-23-17-24-47(39-46)72-48-36-37-52-54-41-53-51-25-7-8-28-55(51)67(56-29-9-13-33-63(56)73-64-34-14-10-30-57(64)67)58(53)42-62(54)71(61(52)40-48)65-35-15-16-38-68-65;/h1-42H;.

What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum?

[1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1130.18 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 177099172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).