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

C59H52N4OPt — CID 171724119

About [13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 171724119) has the molecular formula C59H52N4OPt and a molecular weight of 1028.17 g/mol. Its IUPAC name is [13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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: 171724119
• Molecular Formula: C59H52N4OPt
• Molecular Weight: 1028.17 g/mol
• Exact Mass: 1027.38
• IUPAC Name: [13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(c(C)c5C)CC7)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C59H52N4O.Pt/c1-38-31-58(60-35-54(38)44-19-24-47(25-20-44)59(4,5)6)63-55-30-23-46(43-11-8-7-9-12-43)32-53(55)52-29-28-51(34-56(52)63)64-50-14-10-13-49(33-50)61-36-57-45-18-17-41-15-16-42(40(3)39(41)2)21-26-48(27-22-45)62(57)37-61;/h7-16,19-20,22-25,27-36H,17-18,21,26H2,1-6H3
• InChIKey: MGVNVNTZBAETRH-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.17
LogP ≤ 5	14.53
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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724119) is [13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(c(C)c5C)CC7)c4)cc32)ncc1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of [13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 MGVNVNTZBAETRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52N4O.Pt/c1-38-31-58(60-35-54(38)44-19-24-47(25-20-44)59(4,5)6)63-55-30-23-46(43-11-8-7-9-12-43)32-53(55)52-29-28-51(34-56(52)63)64-50-14-10-13-49(33-50)61-36-57-45-18-17-41-15-16-42(40(3)39(41)2)21-26-48(27-22-45)62(57)37-61;/h7-16,19-20,22-25,27-36H,17-18,21,26H2,1-6H3;.

What are the key properties of [13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 1028.17 g/mol, XLogP of 14.53, 6 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-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 171724119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).