27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene

C53H33N5 — CID 145314234

About 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene

27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene (PubChem CID 145314234) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene
• PubChem CID: 145314234
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6c6c7c8ccccc8ccc7n(c7ccccc74)c56)cc3)n2)cc1
• InChI: InChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)37-27-30-39(31-28-37)57-44-24-12-11-23-42(44)43-33-38-20-8-10-22-41(38)49-48-40-21-9-7-15-34(40)29-32-47(48)58(50(43)49)46-26-14-13-25-45(46)57/h1-33H
• InChIKey: UTJPJQRRUZVDDL-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene?

The IUPAC name of 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene (CID 145314234) is 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene.

What is the SMILES notation for 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene?

The canonical SMILES for 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6c6c7c8ccccc8ccc7n(c7ccccc74)c56)cc3)n2)cc1.

What is the InChIKey of 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene?

The InChIKey is UTJPJQRRUZVDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)37-27-30-39(31-28-37)57-44-24-12-11-23-42(44)43-33-38-20-8-10-22-41(38)49-48-40-21-9-7-15-34(40)29-32-47(48)58(50(43)49)46-26-14-13-25-45(46)57/h1-33H.

What are the key properties of 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene?

27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene has a molecular weight of 739.88 g/mol, XLogP of 13.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,27-diazaoctacyclo[18.13.1.02,11.05,10.012,34.013,18.021,26.028,33]tetratriaconta-2(11),3,5,7,9,12(34),13,15,17,19,21,23,25,28,30,32-hexadecaene is sourced from PubChem (CID 145314234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).