9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C39H23N5 — CID 176880022

About 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 176880022) has the molecular formula C39H23N5 and a molecular weight of 561.65 g/mol. Its IUPAC name is 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 176880022
• Molecular Formula: C39H23N5
• Molecular Weight: 561.65 g/mol
• Exact Mass: 561.20
• IUPAC Name: 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-c2nc(-c3ccc4c5ccccc5n5c6ccccc6c3c45)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C39H23N5/c1-2-12-24(13-3-1)37-40-38(42-39(41-37)44-32-19-9-4-14-25(32)26-15-5-10-20-33(26)44)30-23-22-28-27-16-6-8-18-31(27)43-34-21-11-7-17-29(34)35(30)36(28)43/h1-23H
• InChIKey: IAGLIQOGJYFDLR-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.65
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 176880022) is 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-c2nc(-c3ccc4c5ccccc5n5c6ccccc6c3c45)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is IAGLIQOGJYFDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5/c1-2-12-24(13-3-1)37-40-38(42-39(41-37)44-32-19-9-4-14-25(32)26-15-5-10-20-33(26)44)30-23-22-28-27-16-6-8-18-31(27)43-34-21-11-7-17-29(34)35(30)36(28)43/h1-23H.

What are the key properties of 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 561.65 g/mol, XLogP of 9.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 176880022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).