28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene

C150H81N9O5S — CID 160642598

About 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene

28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene (PubChem CID 160642598) has the molecular formula C150H81N9O5S and a molecular weight of 2121.42 g/mol. Its IUPAC name is 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene.

Molecular Properties

• Compound Name: 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
• PubChem CID: 160642598
• Molecular Formula: C150H81N9O5S
• Molecular Weight: 2121.42 g/mol
• Exact Mass: 2119.61
• IUPAC Name: 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
• SMILES: c1ccc2c(c1)ccc1oc3cc(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7c7c8ccccc8oc7c65)nc5ccccc45)ccc3c12.c1ccc2c(c1)ccc1oc3ccc(-c4cccc5nc(-n6c7ccc8ccccc8c7c7c8ccccc8c8c9ccccc9oc8c76)ncc45)cc3c12.c1ccc2c(c1)ccc1oc3ccc(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7c7c8ccccc8sc7c65)nc5ccccc45)cc3c12
• InChI: InChI=1S/2C50H27N3O2.C50H27N3OS/c1-3-13-31-29(12-1)23-26-41-43(31)37-24-21-30(27-42(37)54-41)47-35-17-7-9-19-38(35)51-50(52-47)53-39-25-22-28-11-2-4-14-32(28)45(39)46-34-16-6-5-15-33(34)44-36-18-8-10-20-40(36)55-49(44)48(46)53;1-3-12-32-29(11-1)21-25-43-44(32)37-26-30(22-24-42(37)54-43)31-17-9-18-39-38(31)27-51-50(52-39)53-40-23-20-28-10-2-4-13-33(28)46(40)47-35-15-6-5-14-34(35)45-36-16-7-8-19-41(36)55-49(45)48(47)53;1-3-13-31-29(12-1)22-26-41-43(31)37-27-30(23-25-40(37)54-41)47-35-17-7-9-19-38(35)51-50(52-47)53-39-24-21-28-11-2-4-14-32(28)45(39)46-34-16-6-5-15-33(34)44-36-18-8-10-20-42(36)55-49(44)48(46)53/h3*1-27H
• InChIKey: RJJHYEJZKWUBMW-UHFFFAOYSA-N
• XLogP: 41.43
• TPSA: 157.83 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.42
LogP ≤ 5	41.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

The IUPAC name of 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene (CID 160642598) is 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene.

What is the SMILES notation for 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

The canonical SMILES for 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene is c1ccc2c(c1)ccc1oc3cc(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7c7c8ccccc8oc7c65)nc5ccccc45)ccc3c12.c1ccc2c(c1)ccc1oc3ccc(-c4cccc5nc(-n6c7ccc8ccccc8c7c7c8ccccc8c8c9ccccc9oc8c76)ncc45)cc3c12.c1ccc2c(c1)ccc1oc3ccc(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7c7c8ccccc8sc7c65)nc5ccccc45)cc3c12.

What is the InChIKey of 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

The InChIKey is RJJHYEJZKWUBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H27N3O2.C50H27N3OS/c1-3-13-31-29(12-1)23-26-41-43(31)37-24-21-30(27-42(37)54-41)47-35-17-7-9-19-38(35)51-50(52-47)53-39-25-22-28-11-2-4-14-32(28)45(39)46-34-16-6-5-15-33(34)44-36-18-8-10-20-40(36)55-49(44)48(46)53;1-3-12-32-29(11-1)21-25-43-44(32)37-26-30(22-24-42(37)54-43)31-17-9-18-39-38(31)27-51-50(52-39)53-40-23-20-28-10-2-4-13-33(28)46(40)47-35-15-6-5-14-34(35)45-36-16-7-8-19-41(36)55-49(45)48(47)53;1-3-13-31-29(12-1)22-26-41-43(31)37-27-30(23-25-40(37)54-41)47-35-17-7-9-19-38(35)51-50(52-47)53-39-24-21-28-11-2-4-14-32(28)45(39)46-34-16-6-5-15-33(34)44-36-18-8-10-20-42(36)55-49(44)48(46)53/h3*1-27H.

What are the key properties of 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene has a molecular weight of 2121.42 g/mol, XLogP of 41.43, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 28-(4-naphtho[2,1-b][1]benzofuran-9-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(5-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-(4-naphtho[2,1-b][1]benzofuran-10-ylquinazolin-2-yl)-3-thia-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene is sourced from PubChem (CID 160642598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).