24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

C54H32N4O — CID 126679628

About 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126679628) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126679628
• Molecular Formula: C54H32N4O
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.26
• IUPAC Name: 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5cc6oc7ccccc7c6cc5c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)cc3)nc3ccccc23)cc1
• InChI: InChI=1S/C54H32N4O/c1-2-13-34(14-3-1)52-41-17-6-9-19-45(41)55-54(56-52)35-23-25-37(26-24-35)58-48-32-50-44(39-16-8-11-21-49(39)59-50)31-43(48)40-28-29-47-51(53(40)58)42-18-7-10-20-46(42)57(47)38-27-22-33-12-4-5-15-36(33)30-38/h1-32H
• InChIKey: XETNRSYQWJYOON-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 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126679628) is 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-c3ccc(-n4c5cc6oc7ccccc7c6cc5c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)cc3)nc3ccccc23)cc1.

What is the InChIKey of 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

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

What are the key properties of 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?

24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-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 24-naphthalen-2-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).