24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

C50H30N4O — CID 126678232

About 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126678232) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126678232
• Molecular Formula: C50H30N4O
• Molecular Weight: 702.82 g/mol
• Exact Mass: 702.24
• IUPAC Name: 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5cc6c(cc5n(-c5nc(-c7ccccc7)c7ccccc7n5)c34)oc3ccccc36)cc2)cc1
• InChI: InChI=1S/C50H30N4O/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-42-21-11-8-19-38(42)47-43(53)28-27-36-39-29-40-35-17-9-12-22-45(35)55-46(40)30-44(39)54(49(36)47)50-51-41-20-10-7-18-37(41)48(52-50)33-15-5-2-6-16-33/h1-30H
• InChIKey: UHYXOFTYUIPSHQ-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.82
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126678232) is 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5cc6c(cc5n(-c5nc(-c7ccccc7)c7ccccc7n5)c34)oc3ccccc36)cc2)cc1.

What is the InChIKey of 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is UHYXOFTYUIPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-42-21-11-8-19-38(42)47-43(53)28-27-36-39-29-40-35-17-9-12-22-45(35)55-46(40)30-44(39)54(49(36)47)50-51-41-20-10-7-18-37(41)48(52-50)33-15-5-2-6-16-33/h1-30H.

What are the key properties of 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 702.82 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126678232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).