18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene

C148H79N9O7S — CID 163617741

About 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene

18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene (PubChem CID 163617741) has the molecular formula C148H79N9O7S and a molecular weight of 2127.38 g/mol. Its IUPAC name is 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene.

Molecular Properties

• Compound Name: 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
• PubChem CID: 163617741
• Molecular Formula: C148H79N9O7S
• Molecular Weight: 2127.38 g/mol
• Exact Mass: 2125.58
• IUPAC Name: 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
• SMILES: c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7oc8ccccc8c7c7c(ccc8oc9ccccc9c87)c65)nc5ccccc45)cc3)cccc2c1.c1ccc2c(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c(ccc6oc7ccccc7c65)c43)nc2c1.c1ccc2c(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c(ccc6oc7ccccc7c65)c43)nc2c1
• InChI: InChI=1S/C52H29N3O2.C48H25N3O3.C48H25N3O2S/c1-2-14-33-30(12-1)13-11-19-34(33)31-24-26-32(27-25-31)49-35-15-3-7-20-40(35)53-52(54-49)55-41-21-8-4-16-36(41)48-50(55)39-28-29-44-45(37-17-5-9-22-42(37)56-44)46(39)47-38-18-6-10-23-43(38)57-51(47)48;1-6-16-34-28(12-1)45(26-21-23-39-33(25-26)27-11-3-8-18-36(27)52-39)50-48(49-34)51-35-17-7-2-13-29(35)44-46(51)32-22-24-40-41(30-14-4-9-19-37(30)53-40)42(32)43-31-15-5-10-20-38(31)54-47(43)44;1-6-16-34-29(12-1)45(26-21-22-28-27-11-5-10-20-39(27)54-40(28)25-26)50-48(49-34)51-35-17-7-2-13-30(35)44-46(51)33-23-24-38-41(31-14-3-8-18-36(31)52-38)42(33)43-32-15-4-9-19-37(32)53-47(43)44/h1-29H;2*1-25H
• InChIKey: HLKJHORSAQWPOG-UHFFFAOYSA-N
• XLogP: 41.13
• TPSA: 184.11 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.38
LogP ≤ 5	41.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?

The IUPAC name of 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene (CID 163617741) is 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene.

What is the SMILES notation for 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?

The canonical SMILES for 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene is c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7oc8ccccc8c7c7c(ccc8oc9ccccc9c87)c65)nc5ccccc45)cc3)cccc2c1.c1ccc2c(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c(ccc6oc7ccccc7c65)c43)nc2c1.c1ccc2c(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c(ccc6oc7ccccc7c65)c43)nc2c1.

What is the InChIKey of 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?

The InChIKey is HLKJHORSAQWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O2.C48H25N3O3.C48H25N3O2S/c1-2-14-33-30(12-1)13-11-19-34(33)31-24-26-32(27-25-31)49-35-15-3-7-20-40(35)53-52(54-49)55-41-21-8-4-16-36(41)48-50(55)39-28-29-44-45(37-17-5-9-22-42(37)56-44)46(39)47-38-18-6-10-23-43(38)57-51(47)48;1-6-16-34-28(12-1)45(26-21-23-39-33(25-26)27-11-3-8-18-36(27)52-39)50-48(49-34)51-35-17-7-2-13-29(35)44-46(51)32-22-24-40-41(30-14-4-9-19-37(30)53-40)42(32)43-31-15-5-10-20-38(31)54-47(43)44;1-6-16-34-29(12-1)45(26-21-22-28-27-11-5-10-20-39(27)54-40(28)25-26)50-48(49-34)51-35-17-7-2-13-30(35)44-46(51)33-23-24-38-41(31-14-3-8-18-36(31)52-38)42(33)43-32-15-4-9-19-37(32)53-47(43)44/h1-29H;2*1-25H.

What are the key properties of 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene?

18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene has a molecular weight of 2127.38 g/mol, XLogP of 41.13, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-(4-dibenzothiophen-3-ylquinazolin-2-yl)-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene;18-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-9,24-dioxa-18-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene is sourced from PubChem (CID 163617741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).