18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene

C50H32N4O — CID 163568569

About 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene

18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene (PubChem CID 163568569) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene.

Molecular Properties

• Compound Name: 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene
• PubChem CID: 163568569
• Molecular Formula: C50H32N4O
• Molecular Weight: 704.83 g/mol
• Exact Mass: 704.26
• IUPAC Name: 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene
• SMILES: C1=CC2c3ccc4c5c6oc7ccccc7c6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3N(c3ccc(-c4ccccc4)cc3)C2C=C1
• InChI: InChI=1S/C50H32N4O/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-42-21-11-8-17-35(42)37-27-28-40-45-43(30-29-38-36-18-9-12-22-44(36)55-49(38)45)54(48(40)47(37)53)50-51-41-20-10-7-19-39(41)46(52-50)33-15-5-2-6-16-33/h1-30,35,42H
• InChIKey: FXGUDPFPBWIAEH-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.83
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene?

The IUPAC name of 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene (CID 163568569) is 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene.

What is the SMILES notation for 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene?

The canonical SMILES for 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene is C1=CC2c3ccc4c5c6oc7ccccc7c6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3N(c3ccc(-c4ccccc4)cc3)C2C=C1.

What is the InChIKey of 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene?

The InChIKey is FXGUDPFPBWIAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-42-21-11-8-17-35(42)37-27-28-40-45-43(30-29-38-36-18-9-12-22-44(36)55-49(38)45)54(48(40)47(37)53)50-51-41-20-10-7-19-39(41)46(52-50)33-15-5-2-6-16-33/h1-30,35,42H.

What are the key properties of 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene?

18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene has a molecular weight of 704.83 g/mol, XLogP of 12.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene is sourced from PubChem (CID 163568569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).