26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C51H31N5 — CID 165149795

About 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 165149795) has the molecular formula C51H31N5 and a molecular weight of 713.84 g/mol. Its IUPAC name is 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• PubChem CID: 165149795
• Molecular Formula: C51H31N5
• Molecular Weight: 713.84 g/mol
• Exact Mass: 713.26
• IUPAC Name: 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C51H31N5/c1-4-15-32(16-5-1)35-29-30-42(40(31-35)51-53-49(33-17-6-2-7-18-33)52-50(54-51)34-19-8-3-9-20-34)55-43-26-13-22-37-39-24-12-23-38-36-21-10-11-25-41(36)56(48(38)39)45-28-14-27-44(55)47(45)46(37)43/h1-31H
• InChIKey: ONODRMBJCOYZBQ-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 48.01 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	12.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 165149795) is 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2ccc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

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

What are the key properties of 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 713.84 g/mol, XLogP of 12.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 165149795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).