22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene

C48H28N4O — CID 129141852

About 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene

22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene (PubChem CID 129141852) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene.

Molecular Properties

• Compound Name: 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene
• PubChem CID: 129141852
• Molecular Formula: C48H28N4O
• Molecular Weight: 676.78 g/mol
• Exact Mass: 676.23
• IUPAC Name: 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene
• SMILES: c1ccc(-c2nc(-n3c4cc5c(cc4c4c6oc7ccc8ccccc8c7c6ccc43)c3ccccc3n5-c3ccccc3)nc3ccccc23)cc1
• InChI: InChI=1S/C48H28N4O/c1-3-14-30(15-4-1)46-34-20-9-11-21-38(34)49-48(50-46)52-40-25-24-35-44-32-18-8-7-13-29(32)23-26-43(44)53-47(35)45(40)37-27-36-33-19-10-12-22-39(33)51(41(36)28-42(37)52)31-16-5-2-6-17-31/h1-28H
• InChIKey: KIHCRGODNSVJSE-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.78
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene?

The IUPAC name of 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene (CID 129141852) is 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene.

What is the SMILES notation for 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene?

The canonical SMILES for 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene is c1ccc(-c2nc(-n3c4cc5c(cc4c4c6oc7ccc8ccccc8c7c6ccc43)c3ccccc3n5-c3ccccc3)nc3ccccc23)cc1.

What is the InChIKey of 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene?

The InChIKey is KIHCRGODNSVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-3-14-30(15-4-1)46-34-20-9-11-21-38(34)49-48(50-46)52-40-25-24-35-44-32-18-8-7-13-29(32)23-26-43(44)53-47(35)45(40)37-27-36-33-19-10-12-22-39(33)51(41(36)28-42(37)52)31-16-5-2-6-17-31/h1-28H.

What are the key properties of 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene?

22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene has a molecular weight of 676.78 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 22-phenyl-18-(4-phenylquinazolin-2-yl)-3-oxa-18,22-diazaoctacyclo[15.14.0.02,14.04,13.07,12.019,31.021,29.023,28]hentriaconta-1(17),2(14),4(13),5,7,9,11,15,19(31),20,23,25,27,29-tetradecaene is sourced from PubChem (CID 129141852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).