24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene

C77H45N11 — CID 142565447

About 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene

24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene (PubChem CID 142565447) has the molecular formula C77H45N11 and a molecular weight of 1124.28 g/mol. Its IUPAC name is 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
• PubChem CID: 142565447
• Molecular Formula: C77H45N11
• Molecular Weight: 1124.28 g/mol
• Exact Mass: 1123.39
• IUPAC Name: 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4n4c6ccccc6nc54)c3)nc(-c3cccc(-n4c5ccccc5c5c6ccccc6c6nc7ccccc7n6c54)c3)n2)cc1
• InChI: InChI=1S/C77H45N11/c1-3-21-46(22-4-1)69-56-31-9-12-34-60(56)80-77(81-69)88-64-38-16-11-33-58(64)68-59-45-49(41-42-55(59)74-79-62-36-14-18-40-66(62)87(74)76(68)88)48-25-19-26-50(43-48)71-82-70(47-23-5-2-6-24-47)83-72(84-71)51-27-20-28-52(44-51)85-63-37-15-10-32-57(63)67-53-29-7-8-30-54(53)73-78-61-35-13-17-39-65(61)86(73)75(67)85/h1-45H
• InChIKey: JLILIIGEXASSQL-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 108.91 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.28
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?

The IUPAC name of 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene (CID 142565447) is 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene.

What is the SMILES notation for 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?

The canonical SMILES for 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4n4c6ccccc6nc54)c3)nc(-c3cccc(-n4c5ccccc5c5c6ccccc6c6nc7ccccc7n6c54)c3)n2)cc1.

What is the InChIKey of 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?

The InChIKey is JLILIIGEXASSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H45N11/c1-3-21-46(22-4-1)69-56-31-9-12-34-60(56)80-77(81-69)88-64-38-16-11-33-58(64)68-59-45-49(41-42-55(59)74-79-62-36-14-18-40-66(62)87(74)76(68)88)48-25-19-26-50(43-48)71-82-70(47-23-5-2-6-24-47)83-72(84-71)51-27-20-28-52(44-51)85-63-37-15-10-32-57(63)67-53-29-7-8-30-54(53)73-78-61-35-13-17-39-65(61)86(73)75(67)85/h1-45H.

What are the key properties of 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?

24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene has a molecular weight of 1124.28 g/mol, XLogP of 18.25, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4-phenylquinazolin-2-yl)-14-[3-[4-phenyl-6-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 142565447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).