9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C150H89N9O3 — CID 159881706

About 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 159881706) has the molecular formula C150H89N9O3 and a molecular weight of 2065.42 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 159881706
• Molecular Formula: C150H89N9O3
• Molecular Weight: 2065.42 g/mol
• Exact Mass: 2063.71
• IUPAC Name: 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: C1=CCC(c2cc3c(c4ccccc24)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cccc4c3oc3ccc5ccccc5c34)c3ccccc3n2)C=C1.c1ccc2c(c1)ccc1oc3c(-c4nc(-c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5)nc5ccccc45)cccc3c12.c1ccc2c(c1)ccc1oc3c(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)nc5ccccc45)cccc3c12
• InChI: InChI=1S/C56H35N3O.C50H29N3O.C44H25N3O/c1-3-16-34(17-4-1)45-32-48-52(40-24-11-9-22-38(40)45)53-41-25-12-10-23-39(41)46(35-18-5-2-6-19-35)33-49(53)59(48)56-57-47-29-14-13-26-42(47)54(58-56)44-28-15-27-43-51-37-21-8-7-20-36(37)30-31-50(51)60-55(43)44;1-4-13-35-32(12-1)24-29-44-45(35)39-17-9-18-40(49(39)54-44)48-38-16-7-8-19-41(38)51-50(52-48)33-20-25-34(26-21-33)53-42-27-22-30-10-2-5-14-36(30)46(42)47-37-15-6-3-11-31(37)23-28-43(47)53;1-4-13-29-28(12-1)22-25-38-39(29)33-17-9-18-34(43(33)48-38)42-32-16-7-8-19-35(32)45-44(46-42)47-36-23-20-26-10-2-5-14-30(26)40(36)41-31-15-6-3-11-27(31)21-24-37(41)47/h1-18,20-33,35H,19H2;1-29H;1-25H
• InChIKey: NTPJBWXZWPACQF-UHFFFAOYSA-N
• XLogP: 40.19
• TPSA: 131.55 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.42
LogP ≤ 5	40.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 159881706) is 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is C1=CCC(c2cc3c(c4ccccc24)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cccc4c3oc3ccc5ccccc5c34)c3ccccc3n2)C=C1.c1ccc2c(c1)ccc1oc3c(-c4nc(-c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5)nc5ccccc45)cccc3c12.c1ccc2c(c1)ccc1oc3c(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)nc5ccccc45)cccc3c12.

What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is NTPJBWXZWPACQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O.C50H29N3O.C44H25N3O/c1-3-16-34(17-4-1)45-32-48-52(40-24-11-9-22-38(40)45)53-41-25-12-10-23-39(41)46(35-18-5-2-6-19-35)33-49(53)59(48)56-57-47-29-14-13-26-42(47)54(58-56)44-28-15-27-43-51-37-21-8-7-20-36(37)30-31-50(51)60-55(43)44;1-4-13-35-32(12-1)24-29-44-45(35)39-17-9-18-40(49(39)54-44)48-38-16-7-8-19-41(38)51-50(52-48)33-20-25-34(26-21-33)53-42-27-22-30-10-2-5-14-36(30)46(42)47-37-15-6-3-11-31(37)23-28-43(47)53;1-4-13-29-28(12-1)22-25-38-39(29)33-17-9-18-34(43(33)48-38)42-32-16-7-8-19-35(32)45-44(46-42)47-36-23-20-26-10-2-5-14-30(26)40(36)41-31-15-6-3-11-27(31)21-24-37(41)47/h1-18,20-33,35H,19H2;1-29H;1-25H.

What are the key properties of 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 2065.42 g/mol, XLogP of 40.19, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexa-2,4-dien-1-yl-12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-15-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4-naphtho[2,1-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 159881706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).