15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

C44H26N4O — CID 126678269

About 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene (PubChem CID 126678269) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126678269
• Molecular Formula: C44H26N4O
• Molecular Weight: 626.72 g/mol
• Exact Mass: 626.21
• IUPAC Name: 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5c6c(ccc5n(-c5ccccc5)c34)oc3ccccc36)nc3ccccc23)cc1
• InChI: InChI=1S/C44H26N4O/c1-3-13-27(14-4-1)42-29-17-7-10-20-33(29)45-44(46-42)48-34-21-11-8-18-30(34)40-36(48)24-23-32-39-35(47(43(32)40)28-15-5-2-6-16-28)25-26-38-41(39)31-19-9-12-22-37(31)49-38/h1-26H
• InChIKey: YHYIZODPGQMUAQ-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.72
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene (CID 126678269) is 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-n3c4ccccc4c4c3ccc3c5c6c(ccc5n(-c5ccccc5)c34)oc3ccccc36)nc3ccccc23)cc1.

What is the InChIKey of 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?

The InChIKey is YHYIZODPGQMUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-3-13-27(14-4-1)42-29-17-7-10-20-33(29)45-44(46-42)48-34-21-11-8-18-30(34)40-36(48)24-23-32-39-35(47(43(32)40)28-15-5-2-6-16-28)25-26-38-41(39)31-19-9-12-22-37(31)49-38/h1-26H.

What are the key properties of 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene?

15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene has a molecular weight of 626.72 g/mol, XLogP of 11.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126678269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).