12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

C54H32N4O — CID 126680132

About 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene (PubChem CID 126680132) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
• PubChem CID: 126680132
• Molecular Formula: C54H32N4O
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.26
• IUPAC Name: 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5c(ccc6oc7ccccc7c65)c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c54)cc3)nc3ccccc23)cc1
• InChI: InChI=1S/C54H32N4O/c1-2-14-34(15-3-1)50-42-19-6-9-21-44(42)55-54(56-50)35-25-27-36(28-26-35)57-51-40(31-32-48-49(51)43-20-8-11-24-47(43)59-48)41-30-29-39-38-18-7-10-22-46(38)58(53(39)52(41)57)45-23-12-16-33-13-4-5-17-37(33)45/h1-32H
• InChIKey: UZVGUFZOMYOJPN-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 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

The IUPAC name of 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene (CID 126680132) is 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-c3ccc(-n4c5c(ccc6oc7ccccc7c65)c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c54)cc3)nc3ccccc23)cc1.

What is the InChIKey of 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

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

What are the key properties of 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(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 12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126680132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).