9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C38H24N6 — CID 166563611

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 166563611) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 166563611
• Molecular Formula: C38H24N6
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.21
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccn6)c5ccc43)n2)cc1
• InChI: InChI=1S/C38H24N6/c1-3-13-25(14-4-1)36-40-37(26-15-5-2-6-16-26)42-38(41-36)44-30-20-10-8-18-28(30)35-32(44)23-22-31-34(35)27-17-7-9-19-29(27)43(31)33-21-11-12-24-39-33/h1-24H
• InChIKey: GYEHUJBERTXJKN-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 166563611) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccn6)c5ccc43)n2)cc1.

What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is GYEHUJBERTXJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-3-13-25(14-4-1)36-40-37(26-15-5-2-6-16-26)42-38(41-36)44-30-20-10-8-18-28(30)35-32(44)23-22-31-34(35)27-17-7-9-19-29(27)43(31)33-21-11-12-24-39-33/h1-24H.

What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 564.65 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 166563611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).