[1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

C66H44N6OPt — CID 168796787

About [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 168796787) has the molecular formula C66H44N6OPt and a molecular weight of 1137.23 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 168796787
• Molecular Formula: C66H44N6OPt
• Molecular Weight: 1137.23 g/mol
• Exact Mass: 1136.35
• IUPAC Name: [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(N3c4ccccc4C4(c5cnccc5-c5ccncc54)c4ccc(Oc5cccc(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)cc2C)c([2H])c1[2H]
• InChI: InChI=1S/C66H44N6O.Pt/c1-44-37-64(69-40-55(44)47-21-9-4-10-22-47)72-60-28-12-11-27-56(60)66(58-41-67-35-33-53(58)54-34-36-68-42-59(54)66)57-32-31-50(39-63(57)72)73-49-24-15-23-48(38-49)70-43-71(62-30-14-13-29-61(62)70)65-51(45-17-5-2-6-18-45)25-16-26-52(65)46-19-7-3-8-20-46;/h2-42H,1H3;/i4D,9D,10D,21D,22D
• InChIKey: UCFBEIMBZITUQA-VREUHKBHSA-N
• XLogP: 15.93
• TPSA: 61.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.23
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 168796787) is [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2cnc(N3c4ccccc4C4(c5cnccc5-c5ccncc54)c4ccc(Oc5cccc(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)cc2C)c([2H])c1[2H].

What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is UCFBEIMBZITUQA-VREUHKBHSA-N. The full InChI is InChI=1S/C66H44N6O.Pt/c1-44-37-64(69-40-55(44)47-21-9-4-10-22-47)72-60-28-12-11-27-56(60)66(58-41-67-35-33-53(58)54-34-36-68-42-59(54)66)57-32-31-50(39-63(57)72)73-49-24-15-23-48(38-49)70-43-71(62-30-14-13-29-61(62)70)65-51(45-17-5-2-6-18-45)25-16-26-52(65)46-19-7-3-8-20-46;/h2-42H,1H3;/i4D,9D,10D,21D,22D;.

What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

[1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1137.23 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,6-diphenylphenyl)-3-[3-[10'-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-3'-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).