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

C52H39N5OPt — CID 171724276

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

[13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (PubChem CID 171724276) has the molecular formula C52H39N5OPt and a molecular weight of 945.00 g/mol. Its IUPAC name is [13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
• PubChem CID: 171724276
• Molecular Formula: C52H39N5OPt
• Molecular Weight: 945.00 g/mol
• Exact Mass: 944.28
• IUPAC Name: [13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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(-n5cc6c7cnc(n6c5=[Pt])CCc5ccc(cc5)CC7)c4)cc32)ncc1-c1ccccc1
• InChI: InChI=1S/C52H39N5O.Pt/c1-35-27-52(54-32-47(35)39-11-6-3-7-12-39)57-48-25-22-40(38-9-4-2-5-10-38)28-46(48)45-24-23-44(30-49(45)57)58-43-14-8-13-42(29-43)55-33-50-41-21-19-36-15-17-37(18-16-36)20-26-51(53-31-41)56(50)34-55;/h2-18,22-25,27-33H,19-21,26H2,1H3
• InChIKey: URBQDTXWEKWPFU-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.00
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724276) is [13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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(-n5cc6c7cnc(n6c5=[Pt])CCc5ccc(cc5)CC7)c4)cc32)ncc1-c1ccccc1.

What is the InChIKey of [13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

The InChIKey is URBQDTXWEKWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N5O.Pt/c1-35-27-52(54-32-47(35)39-11-6-3-7-12-39)57-48-25-22-40(38-9-4-2-5-10-38)28-46(48)45-24-23-44(30-49(45)57)58-43-14-8-13-42(29-43)55-33-50-41-21-19-36-15-17-37(18-16-36)20-26-51(53-31-41)56(50)34-55;/h2-18,22-25,27-33H,19-21,26H2,1H3;.

What are the key properties of [13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?

[13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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 945.00 g/mol, XLogP of 12.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-11,13,17-triazatetracyclo[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 171724276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).