[13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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

C59H53N5OPt — CID 171724145

About [13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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-tert-butyl-5-(4-tert-butylphenyl)-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 171724145) has the molecular formula C59H53N5OPt and a molecular weight of 1043.18 g/mol. Its IUPAC name is [13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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-tert-butyl-5-(4-tert-butylphenyl)-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: 171724145
• Molecular Formula: C59H53N5OPt
• Molecular Weight: 1043.18 g/mol
• Exact Mass: 1042.39
• IUPAC Name: [13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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: CC(C)(C)c1ccc(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4ccc(Oc5cccc(-n6cc7c8cnc(n7c6=[Pt])CCc6ccc(cc6)CC8)c5)cc43)cc2C(C)(C)C)cc1
• InChI: InChI=1S/C59H53N5O.Pt/c1-58(2,3)45-25-22-42(23-26-45)51-36-61-57(34-52(51)59(4,5)6)64-53-29-24-43(41-11-8-7-9-12-41)31-50(53)49-28-27-48(33-54(49)64)65-47-14-10-13-46(32-47)62-37-55-44-21-19-39-15-17-40(18-16-39)20-30-56(60-35-44)63(55)38-62;/h7-18,22-29,31-37H,19-21,30H2,1-6H3
• InChIKey: NLMSCBVNDONIFX-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.18
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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-tert-butyl-5-(4-tert-butylphenyl)-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 171724145) is [13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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-tert-butyl-5-(4-tert-butylphenyl)-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-tert-butyl-5-(4-tert-butylphenyl)-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 CC(C)(C)c1ccc(-c2cnc(-n3c4ccc(-c5ccccc5)cc4c4ccc(Oc5cccc(-n6cc7c8cnc(n7c6=[Pt])CCc6ccc(cc6)CC8)c5)cc43)cc2C(C)(C)C)cc1.

What is the InChIKey of [13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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 NLMSCBVNDONIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H53N5O.Pt/c1-58(2,3)45-25-22-42(23-26-45)51-36-61-57(34-52(51)59(4,5)6)64-53-29-24-43(41-11-8-7-9-12-41)31-50(53)49-28-27-48(33-54(49)64)65-47-14-10-13-46(32-47)62-37-55-44-21-19-39-15-17-40(18-16-39)20-30-56(60-35-44)63(55)38-62;/h7-18,22-29,31-37H,19-21,30H2,1-6H3;.

What are the key properties of [13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-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-tert-butyl-5-(4-tert-butylphenyl)-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 1043.18 g/mol, XLogP of 14.30, 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-tert-butyl-5-(4-tert-butylphenyl)-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 171724145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).