10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene

C45H27N5 — CID 135297330

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene (PubChem CID 135297330) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene.

Molecular Properties

• Compound Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene
• PubChem CID: 135297330
• Molecular Formula: C45H27N5
• Molecular Weight: 637.75 g/mol
• Exact Mass: 637.23
• IUPAC Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3-n3c4ccccc4c4cccc-5c43)n2)cc1
• InChI: InChI=1S/C45H27N5/c1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-38-25-12-9-20-34(38)41-39(50)27-26-32-30-18-7-10-23-36(30)49-37-24-11-8-19-31(37)33-21-13-22-35(40(32)41)42(33)49/h1-27H
• InChIKey: GZFPIKQLYBKKIS-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.75
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene?

The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene (CID 135297330) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene.

What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene?

The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3-n3c4ccccc4c4cccc-5c43)n2)cc1.

What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene?

The InChIKey is GZFPIKQLYBKKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-38-25-12-9-20-34(38)41-39(50)27-26-32-30-18-7-10-23-36(30)49-37-24-11-8-19-31(37)33-21-13-22-35(40(32)41)42(33)49/h1-27H.

What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene?

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene has a molecular weight of 637.75 g/mol, XLogP of 11.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene is sourced from PubChem (CID 135297330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).