[13-[3-[9-(4-methyl-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

C41H32N4OPt — CID 171724283

About [13-[3-[9-(4-methyl-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-(4-methyl-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 171724283) has the molecular formula C41H32N4OPt and a molecular weight of 791.81 g/mol. Its IUPAC name is [13-[3-[9-(4-methyl-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-(4-methyl-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: 171724283
• Molecular Formula: C41H32N4OPt
• Molecular Weight: 791.81 g/mol
• Exact Mass: 791.22
• IUPAC Name: [13-[3-[9-(4-methyl-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: Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)c4)cc32)c1
• InChI: InChI=1S/C41H32N4O.Pt/c1-28-21-22-42-41(23-28)45-38-8-3-2-7-36(38)37-20-19-35(25-39(37)45)46-34-6-4-5-33(24-34)43-26-40-31-15-13-29-9-11-30(12-10-29)14-17-32(18-16-31)44(40)27-43;/h2-12,16,18-26H,13-15,17H2,1H3
• InChIKey: BVLQHSFTHBUIGQ-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.81
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [13-[3-[9-(4-methyl-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-(4-methyl-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 171724283) is [13-[3-[9-(4-methyl-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-(4-methyl-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-(4-methyl-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 Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)c4)cc32)c1.

What is the InChIKey of [13-[3-[9-(4-methyl-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 BVLQHSFTHBUIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N4O.Pt/c1-28-21-22-42-41(23-28)45-38-8-3-2-7-36(38)37-20-19-35(25-39(37)45)46-34-6-4-5-33(24-34)43-26-40-31-15-13-29-9-11-30(12-10-29)14-17-32(18-16-31)44(40)27-43;/h2-12,16,18-26H,13-15,17H2,1H3;.

What are the key properties of [13-[3-[9-(4-methyl-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-(4-methyl-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 791.81 g/mol, XLogP of 9.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[9-(4-methyl-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 171724283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).