[13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

C57H56N4OPt — CID 171724228

About [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

[13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (PubChem CID 171724228) has the molecular formula C57H56N4OPt and a molecular weight of 1008.18 g/mol. Its IUPAC name is [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum.

Molecular Properties

• Compound Name: [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
• PubChem CID: 171724228
• Molecular Formula: C57H56N4OPt
• Molecular Weight: 1008.18 g/mol
• Exact Mass: 1007.41
• IUPAC Name: [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
• SMILES: CC(C)c1cc(-n2c3ccccc3c3ccc(Oc4cc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)cc(C(C)(C)C)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C57H56N4O.Pt/c1-37(2)50-33-55(58-34-51(50)40-20-23-42(24-21-40)56(3,4)5)61-52-12-10-9-11-48(52)49-28-27-46(32-53(49)61)62-47-30-43(57(6,7)8)29-45(31-47)59-35-54-41-19-17-38-13-15-39(16-14-38)18-25-44(26-22-41)60(54)36-59;/h9-16,20-24,26-35,37H,17-19,25H2,1-8H3
• InChIKey: HPPWFCOTDPFUKH-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.18
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

The IUPAC name of [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724228) is [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum.

What is the SMILES notation for [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

The canonical SMILES for [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is CC(C)c1cc(-n2c3ccccc3c3ccc(Oc4cc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)cc(C(C)(C)C)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

The InChIKey is HPPWFCOTDPFUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H56N4O.Pt/c1-37(2)50-33-55(58-34-51(50)40-20-23-42(24-21-40)56(3,4)5)61-52-12-10-9-11-48(52)49-28-27-46(32-53(49)61)62-47-30-43(57(6,7)8)29-45(31-47)59-35-54-41-19-17-38-13-15-39(16-14-38)18-25-44(26-22-41)60(54)36-59;/h9-16,20-24,26-35,37H,17-19,25H2,1-8H3;.

What are the key properties of [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

[13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum has a molecular weight of 1008.18 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-2-pyridinyl]carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is sourced from PubChem (CID 171724228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).