26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

C54H32N4O — CID 126677772

About 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (PubChem CID 126677772) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 126677772
• Molecular Formula: C54H32N4O
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.26
• IUPAC Name: 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccc6c7ccccc7oc6c5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)cc3)nc3ccccc23)cc1
• InChI: InChI=1S/C54H32N4O/c1-2-14-34(15-3-1)51-42-20-6-9-21-43(42)55-54(56-51)35-25-27-36(28-26-35)57-46-31-29-40-38-18-7-10-22-45(38)58(44-23-12-16-33-13-4-5-17-37(33)44)52(40)49(46)50-47(57)32-30-41-39-19-8-11-24-48(39)59-53(41)50/h1-32H
• InChIKey: REGWRPSHSHUYHV-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.88
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (CID 126677772) is 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is c1ccc(-c2nc(-c3ccc(-n4c5ccc6c7ccccc7oc6c5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)cc3)nc3ccccc23)cc1.

What is the InChIKey of 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The InChIKey is REGWRPSHSHUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-2-14-34(15-3-1)51-42-20-6-9-21-43(42)55-54(56-51)35-25-27-36(28-26-35)57-46-31-29-40-38-18-7-10-22-45(38)58(44-23-12-16-33-13-4-5-17-37(33)44)52(40)49(46)50-47(57)32-30-41-39-19-8-11-24-48(39)59-53(41)50/h1-32H.

What are the key properties of 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene has a molecular weight of 752.88 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 126677772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).