10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

C48H28N4O — CID 126679505

About 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (PubChem CID 126679505) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 126679505
• Molecular Formula: C48H28N4O
• Molecular Weight: 676.78 g/mol
• Exact Mass: 676.23
• IUPAC Name: 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• SMILES: c1ccc(-n2c3ccc4c5ccccc5oc4c3c3c4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c4ccc32)cc1
• InChI: InChI=1S/C48H28N4O/c1-2-14-32(15-3-1)51-40-27-26-39-43(44(40)45-41(51)25-24-34-33-16-8-11-21-42(33)53-47(34)45)36-18-7-10-20-38(36)52(39)48-49-37-19-9-6-17-35(37)46(50-48)31-23-22-29-12-4-5-13-30(29)28-31/h1-28H
• InChIKey: ZTTPMBLUBYAHPL-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 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (CID 126679505) is 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is c1ccc(-n2c3ccc4c5ccccc5oc4c3c3c4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c4ccc32)cc1.

What is the InChIKey of 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

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

What are the key properties of 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene 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 10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 126679505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).