[1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C70H52N6OPt — CID 168796961

About [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796961) has the molecular formula C70H52N6OPt and a molecular weight of 1188.30 g/mol. Its IUPAC name is [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796961
• Molecular Formula: C70H52N6OPt
• Molecular Weight: 1188.30 g/mol
• Exact Mass: 1187.39
• IUPAC Name: [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(N2c3ccccc3C3(c4cnccc4-c4ccncc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C70H52N6O.Pt/c1-46-39-67(73-42-58(46)49-29-31-50(32-30-49)69(2,3)4)76-63-26-12-11-25-59(63)70(61-43-71-37-35-56(61)57-36-38-72-44-62(57)70)60-34-33-53(41-66(60)76)77-52-22-15-21-51(40-52)74-45-75(65-28-14-13-27-64(65)74)68-54(47-17-7-5-8-18-47)23-16-24-55(68)48-19-9-6-10-20-48;/h5-44H,1-4H3
• InChIKey: YRAULXZSUPKHKK-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 61.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1188.30
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796961) is [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1cc(N2c3ccccc3C3(c4cnccc4-c4ccncc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is YRAULXZSUPKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N6O.Pt/c1-46-39-67(73-42-58(46)49-29-31-50(32-30-49)69(2,3)4)76-63-26-12-11-25-59(63)70(61-43-71-37-35-56(61)57-36-38-72-44-62(57)70)60-34-33-53(41-66(60)76)77-52-22-15-21-51(40-52)74-45-75(65-28-14-13-27-64(65)74)68-54(47-17-7-5-8-18-47)23-16-24-55(68)48-19-9-6-10-20-48;/h5-44H,1-4H3;.

What are the key properties of [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1188.30 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[10'-[5-(4-tert-butylphenyl)-4-methyl-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]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).