[1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum

C59H51N5OPtS — CID 169294293

About [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum

[1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum (PubChem CID 169294293) has the molecular formula C59H51N5OPtS and a molecular weight of 1073.24 g/mol. Its IUPAC name is [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum
• PubChem CID: 169294293
• Molecular Formula: C59H51N5OPtS
• Molecular Weight: 1073.24 g/mol
• Exact Mass: 1072.35
• IUPAC Name: [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6cc7c8c(c6)C(C)(C)c6ccccc6N8c6ccccc6S7)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C59H51N5OS.Pt/c1-57(2,3)37-24-27-47-44(30-37)43-26-25-42(35-52(43)63(47)55-31-38(28-29-60-55)58(4,5)6)65-41-17-15-16-39(32-41)61-36-62(50-21-12-11-20-49(50)61)40-33-46-56-54(34-40)66-53-23-14-13-22-51(53)64(56)48-19-10-9-18-45(48)59(46,7)8;/h9-35H,1-8H3
• InChIKey: LTXQZVAUECAMHY-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 40.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.24
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum (CID 169294293) is [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6cc7c8c(c6)C(C)(C)c6ccccc6N8c6ccccc6S7)c6ccccc65)c4)cc32)c1.

What is the InChIKey of [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum?

The InChIKey is LTXQZVAUECAMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N5OS.Pt/c1-57(2,3)37-24-27-47-44(30-37)43-26-25-42(35-52(43)63(47)55-31-38(28-29-60-55)58(4,5)6)65-41-17-15-16-39(32-41)61-36-62(50-21-12-11-20-49(50)61)40-33-46-56-54(34-40)66-53-23-14-13-22-51(53)64(56)48-19-10-9-18-45(48)59(46,7)8;/h9-35H,1-8H3;.

What are the key properties of [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum?

[1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum has a molecular weight of 1073.24 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-(14,14-dimethyl-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169294293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).