[13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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

C63H60N4OPt — CID 171724258

About [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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 171724258) has the molecular formula C63H60N4OPt and a molecular weight of 1084.28 g/mol. Its IUPAC name is [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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: 171724258
• Molecular Formula: C63H60N4OPt
• Molecular Weight: 1084.28 g/mol
• Exact Mass: 1083.44
• IUPAC Name: [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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: CC(C)(C)c1ccc(-c2cnc(-n3c4ccccc4c4ccc(Oc5cc(-n6cc7c8ccc(n7c6=[Pt])CCc6ccc(cc6)CC8)cc(C(C)(C)C)c5)cc43)cc2C(C)(C)c2ccccc2)cc1
• InChI: InChI=1S/C63H60N4O.Pt/c1-61(2,3)46-28-25-44(26-29-46)55-39-64-60(38-56(55)63(7,8)47-14-10-9-11-15-47)67-57-17-13-12-16-53(57)54-33-32-51(37-58(54)67)68-52-35-48(62(4,5)6)34-50(36-52)65-40-59-45-24-22-42-18-20-43(21-19-42)23-30-49(31-27-45)66(59)41-65;/h9-21,25-29,31-40H,22-24,30H2,1-8H3
• InChIKey: SKCWAVQLICBVOH-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.28
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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 171724258) is [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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 CC(C)(C)c1ccc(-c2cnc(-n3c4ccccc4c4ccc(Oc5cc(-n6cc7c8ccc(n7c6=[Pt])CCc6ccc(cc6)CC8)cc(C(C)(C)C)c5)cc43)cc2C(C)(C)c2ccccc2)cc1.

What is the InChIKey of [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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 SKCWAVQLICBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60N4O.Pt/c1-61(2,3)46-28-25-44(26-29-46)55-39-64-60(38-56(55)63(7,8)47-14-10-9-11-15-47)67-57-17-13-12-16-53(57)54-33-32-51(37-58(54)67)68-52-35-48(62(4,5)6)34-50(36-52)65-40-59-45-24-22-42-18-20-43(21-19-42)23-30-49(31-27-45)66(59)41-65;/h9-21,25-29,31-40H,22-24,30H2,1-8H3;.

What are the key properties of [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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 1084.28 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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 171724258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).