18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

C93H55N7O2 — CID 159178895

About 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 159178895) has the molecular formula C93H55N7O2 and a molecular weight of 1302.51 g/mol. Its IUPAC name is 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
• PubChem CID: 159178895
• Molecular Formula: C93H55N7O2
• Molecular Weight: 1302.51 g/mol
• Exact Mass: 1301.44
• IUPAC Name: 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
• SMILES: c1ccc(-c2cc(-n3c4cc5c(cc4c4ccc6c7ccccc7oc6c43)c3ccccc3n5-c3ccccc3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccc4c6ccccc6oc4c3n5-c3ccccc3)nc3ccccc23)cc1
• InChI: InChI=1S/C48H28N4O.C45H27N3O/c1-3-14-30(15-4-1)45-36-20-9-11-21-39(36)49-48(50-45)52-40-26-23-29-13-7-8-18-32(29)44(40)38-27-37-34-24-25-35-33-19-10-12-22-43(33)53-47(35)46(34)51(41(37)28-42(38)52)31-16-5-2-6-17-31;1-3-13-28(14-4-1)35-26-43(46-38-20-10-7-17-30(35)38)48-41-27-40-36(31-18-8-11-21-39(31)47(40)29-15-5-2-6-16-29)25-37(41)33-23-24-34-32-19-9-12-22-42(32)49-45(34)44(33)48/h1-28H;1-27H
• InChIKey: KMQBLIRJNRDWBL-UHFFFAOYSA-N
• XLogP: 24.54
• TPSA: 84.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1302.51
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

The IUPAC name of 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (CID 159178895) is 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is c1ccc(-c2cc(-n3c4cc5c(cc4c4ccc6c7ccccc7oc6c43)c3ccccc3n5-c3ccccc3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccc4c6ccccc6oc4c3n5-c3ccccc3)nc3ccccc23)cc1.

What is the InChIKey of 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

The InChIKey is KMQBLIRJNRDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O.C45H27N3O/c1-3-14-30(15-4-1)45-36-20-9-11-21-39(36)49-48(50-45)52-40-26-23-29-13-7-8-18-32(29)44(40)38-27-37-34-24-25-35-33-19-10-12-22-43(33)53-47(35)46(34)51(41(37)28-42(38)52)31-16-5-2-6-17-31;1-3-13-28(14-4-1)35-26-43(46-38-20-10-7-17-30(35)38)48-41-27-40-36(31-18-8-11-21-39(31)47(40)29-15-5-2-6-16-29)25-37(41)33-23-24-34-32-19-9-12-22-42(32)49-45(34)44(33)48/h1-28H;1-27H.

What are the key properties of 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 1302.51 g/mol, XLogP of 24.54, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 18-phenyl-14-(4-phenylquinazolin-2-yl)-21-oxa-14,18-diazaoctacyclo[15.14.0.03,15.04,13.05,10.019,31.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,19(31),20(28),22,24,26,29-tetradecaene;11-phenyl-15-(4-phenylquinolin-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 159178895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).