18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

C51H31N5 — CID 167285164

About 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (PubChem CID 167285164) has the molecular formula C51H31N5 and a molecular weight of 713.84 g/mol. Its IUPAC name is 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.

Molecular Properties

• Compound Name: 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
• PubChem CID: 167285164
• Molecular Formula: C51H31N5
• Molecular Weight: 713.84 g/mol
• Exact Mass: 713.26
• IUPAC Name: 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
• SMILES: c1ccc(C2=C(n3c4ccccc4c4ccccc43)c3cccc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C51H31N5/c1-4-16-32(17-5-1)45-38-25-14-22-33-30-31-43-47(44(33)38)46-39(48(45)55-40-27-12-10-23-36(40)37-24-11-13-28-41(37)55)26-15-29-42(46)56(43)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35/h1-31H
• InChIKey: NNRYQTBLQGEDMM-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.84
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?

The IUPAC name of 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (CID 167285164) is 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.

What is the SMILES notation for 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?

The canonical SMILES for 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is c1ccc(C2=C(n3c4ccccc4c4ccccc43)c3cccc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?

The InChIKey is NNRYQTBLQGEDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5/c1-4-16-32(17-5-1)45-38-25-14-22-33-30-31-43-47(44(33)38)46-39(48(45)55-40-27-12-10-23-36(40)37-24-11-13-28-41(37)55)26-15-29-42(46)56(43)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35/h1-31H.

What are the key properties of 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?

18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene has a molecular weight of 713.84 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is sourced from PubChem (CID 167285164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).