9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene

C38H23N7 — CID 155280910

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene (PubChem CID 155280910) has the molecular formula C38H23N7 and a molecular weight of 577.65 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene
• PubChem CID: 155280910
• Molecular Formula: C38H23N7
• Molecular Weight: 577.65 g/mol
• Exact Mass: 577.20
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3c5ccccc5cn3c3nc5ccccc5n43)n2)cc1
• InChI: InChI=1S/C38H23N7/c1-3-13-24(14-4-1)35-40-36(25-15-5-2-6-16-25)42-37(41-35)44-30-21-11-9-19-28(30)33-34(44)32-27-18-8-7-17-26(27)23-43(32)38-39-29-20-10-12-22-31(29)45(33)38/h1-23H
• InChIKey: RYIYYGQHZRYPJN-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 65.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.65
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene (CID 155280910) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene.

What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene?

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3c5ccccc5cn3c3nc5ccccc5n43)n2)cc1.

What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene?

The InChIKey is RYIYYGQHZRYPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N7/c1-3-13-24(14-4-1)35-40-36(25-15-5-2-6-16-25)42-37(41-35)44-30-21-11-9-19-28(30)33-34(44)32-27-18-8-7-17-26(27)23-43(32)38-39-29-20-10-12-22-31(29)45(33)38/h1-23H.

What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene has a molecular weight of 577.65 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene is sourced from PubChem (CID 155280910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).