N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum

C51H36BN6OPt-3 — CID 156686388

About N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum

N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum (PubChem CID 156686388) has the molecular formula C51H36BN6OPt-3 and a molecular weight of 954.78 g/mol. Its IUPAC name is N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum.

Molecular Properties

• Compound Name: N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum
• PubChem CID: 156686388
• Molecular Formula: C51H36BN6OPt-3
• Molecular Weight: 954.78 g/mol
• Exact Mass: 954.27
• IUPAC Name: N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c4ccccn4)ccc3)ccc2)[CH-]1.[Pt]
• InChI: InChI=1S/C51H36BN6O.Pt/c1-54-30-31-55(36-54)39-20-14-22-42(32-39)59-43-23-15-21-40(33-43)56(50-28-12-13-29-53-50)41-34-48-51-49(35-41)58(38-18-6-3-7-19-38)47-27-11-9-25-45(47)52(51)44-24-8-10-26-46(44)57(48)37-16-4-2-5-17-37;/h2-31,34-36H,1H3;/q-3
• InChIKey: LVMXXKCLYYJBAI-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 38.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.78
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum?

The IUPAC name of N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum (CID 156686388) is N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum.

What is the SMILES notation for N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum?

The canonical SMILES for N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c4ccccn4)ccc3)ccc2)[CH-]1.[Pt].

What is the InChIKey of N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum?

The InChIKey is LVMXXKCLYYJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36BN6O.Pt/c1-54-30-31-55(36-54)39-20-14-22-42(32-39)59-43-23-15-21-40(33-43)56(50-28-12-13-29-53-50)41-34-48-51-49(35-41)58(38-18-6-3-7-19-38)47-27-11-9-25-45(47)52(51)44-24-8-10-26-46(44)57(48)37-16-4-2-5-17-37;/h2-31,34-36H,1H3;/q-3;.

What are the key properties of N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum?

N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum has a molecular weight of 954.78 g/mol, XLogP of 10.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8,14-diphenyl-N-pyridin-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;platinum is sourced from PubChem (CID 156686388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).