[13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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

C52H46N4OPt — CID 171724159

About [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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 171724159) has the molecular formula C52H46N4OPt and a molecular weight of 938.04 g/mol. Its IUPAC name is [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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: 171724159
• Molecular Formula: C52H46N4OPt
• Molecular Weight: 938.04 g/mol
• Exact Mass: 937.33
• IUPAC Name: [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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: Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)c4)cc32)nc(C)c1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C52H46N4O.Pt/c1-34-29-50(53-35(2)51(34)39-20-23-40(24-21-39)52(3,4)5)56-47-12-7-6-11-45(47)46-28-27-44(31-48(46)56)57-43-10-8-9-42(30-43)54-32-49-38-19-17-36-13-15-37(16-14-36)18-25-41(26-22-38)55(49)33-54;/h6-16,20-24,26-32H,17-19,25H2,1-5H3
• InChIKey: UVYJRODJEZOKDS-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.04
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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 171724159) is [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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 Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)c4)cc32)nc(C)c1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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 UVYJRODJEZOKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N4O.Pt/c1-34-29-50(53-35(2)51(34)39-20-23-40(24-21-39)52(3,4)5)56-47-12-7-6-11-45(47)46-28-27-44(31-48(46)56)57-43-10-8-9-42(30-43)54-32-49-38-19-17-36-13-15-37(16-14-36)18-25-41(26-22-38)55(49)33-54;/h6-16,20-24,26-32H,17-19,25H2,1-5H3;.

What are the key properties of [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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 938.04 g/mol, XLogP of 12.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-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 171724159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).