15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

C54H32N4O — CID 126677881

About 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene (PubChem CID 126677881) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
• PubChem CID: 126677881
• Molecular Formula: C54H32N4O
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.26
• IUPAC Name: 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7cc8c(cc7n(-c7cccc9ccccc79)c6ccc54)oc4ccccc48)cc3)nc3ccccc23)cc1
• InChI: InChI=1S/C54H32N4O/c1-2-14-34(15-3-1)53-39-19-6-9-21-43(39)55-54(56-53)35-25-27-36(28-26-35)57-45-22-10-7-20-40(45)51-46(57)29-30-47-52(51)42-31-41-38-18-8-11-24-49(38)59-50(41)32-48(42)58(47)44-23-12-16-33-13-4-5-17-37(33)44/h1-32H
• InChIKey: KNNCNIRKTTUWLO-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 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?

The IUPAC name of 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene (CID 126677881) is 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7cc8c(cc7n(-c7cccc9ccccc79)c6ccc54)oc4ccccc48)cc3)nc3ccccc23)cc1.

What is the InChIKey of 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?

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

What are the key properties of 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?

15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-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 15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 126677881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).