[13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

C72H72N4OPt-2 — CID 171724177

About [13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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 171724177) has the molecular formula C72H72N4OPt-2 and a molecular weight of 1204.47 g/mol. Its IUPAC name is [13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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: 171724177
• Molecular Formula: C72H72N4OPt-2
• Molecular Weight: 1204.47 g/mol
• Exact Mass: 1203.54
• IUPAC Name: [13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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(-n3c4[c-]c(Oc5[c-]c(-n6cc7c8ccc(n7c6=[Pt])CCc6ccc(c(C7CCCCC7)c6C6CCCCC6)CC8)ccc5)ccc4c4cc(-c5ccccc5)ccc43)cc2C(C)(C)C)cc1
• InChI: InChI=1S/C72H72N4O.Pt/c1-71(2,3)56-34-29-49(30-35-56)63-45-73-68(44-64(63)72(4,5)6)76-65-40-33-55(48-17-10-7-11-18-48)41-62(65)61-39-38-60(43-66(61)76)77-59-24-16-23-58(42-59)74-46-67-50-25-26-53-27-28-54(32-37-57(36-31-50)75(67)47-74)70(52-21-14-9-15-22-52)69(53)51-19-12-8-13-20-51;/h7,10-11,16-18,23-24,27-31,33-36,38-41,44-46,51-52H,8-9,12-15,19-22,25-26,32,37H2,1-6H3;/q-2
• InChIKey: WGXWNQGVMOFGPV-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 36.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.47
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724177) is [13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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(-n3c4[c-]c(Oc5[c-]c(-n6cc7c8ccc(n7c6=[Pt])CCc6ccc(c(C7CCCCC7)c6C6CCCCC6)CC8)ccc5)ccc4c4cc(-c5ccccc5)ccc43)cc2C(C)(C)C)cc1.

What is the InChIKey of [13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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 WGXWNQGVMOFGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H72N4O.Pt/c1-71(2,3)56-34-29-49(30-35-56)63-45-73-68(44-64(63)72(4,5)6)76-65-40-33-55(48-17-10-7-11-18-48)41-62(65)61-39-38-60(43-66(61)76)77-59-24-16-23-58(42-59)74-46-67-50-25-26-53-27-28-54(32-37-57(36-31-50)75(67)47-74)70(52-21-14-9-15-22-52)69(53)51-19-12-8-13-20-51;/h7,10-11,16-18,23-24,27-31,33-36,38-41,44-46,51-52H,8-9,12-15,19-22,25-26,32,37H2,1-6H3;/q-2;.

What are the key properties of [13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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 1204.47 g/mol, XLogP of 18.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-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 171724177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).