4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C56H34N4O — CID 126679379

About 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126679379) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126679379
• Molecular Formula: C56H34N4O
• Molecular Weight: 778.92 g/mol
• Exact Mass: 778.27
• IUPAC Name: 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccc7oc8ccccc8c7c6n5-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)c43)c2)cc1
• InChI: InChI=1S/C56H34N4O/c1-3-14-35(15-4-1)38-18-13-19-40(34-38)60-47-24-11-8-20-41(47)42-30-32-48-51(54(42)60)45-31-33-50-52(44-22-9-12-25-49(44)61-50)55(45)59(48)39-28-26-37(27-29-39)56-57-46-23-10-7-21-43(46)53(58-56)36-16-5-2-6-17-36/h1-34H
• InChIKey: IFUHOGMYAYHWFM-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.92
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126679379) is 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccc7oc8ccccc8c7c6n5-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)c43)c2)cc1.

What is the InChIKey of 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is IFUHOGMYAYHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-3-14-35(15-4-1)38-18-13-19-40(34-38)60-47-24-11-8-20-41(47)42-30-32-48-51(54(42)60)45-31-33-50-52(44-22-9-12-25-49(44)61-50)55(45)59(48)39-28-26-37(27-29-39)56-57-46-23-10-7-21-43(46)53(58-56)36-16-5-2-6-17-36/h1-34H.

What are the key properties of 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 778.92 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).