22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

C181H102N14O5 — CID 157216548

About 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (PubChem CID 157216548) has the molecular formula C181H102N14O5 and a molecular weight of 2552.90 g/mol. Its IUPAC name is 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
• PubChem CID: 157216548
• Molecular Formula: C181H102N14O5
• Molecular Weight: 2552.90 g/mol
• Exact Mass: 2550.82
• IUPAC Name: 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4cc5ccc6c7ccccc7oc6c5cc43)nc3c4ccccc4c4ccccc4c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccc8c9ccccc9oc8c7cc65)nc5c4ccc4ccccc45)ccc32)cc1.c1ccc2c(c1)ccc1c(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4cc5ccc6c7ccccc7oc6c5cc43)nc12.c1cncc(-c2nc(-n3c4ccccc4c4cc5ccc6c7ccccc7oc6c5cc43)nc3c2ccc2ccccc23)c1
• InChI: InChI=1S/C52H30N4O.C46H25N3O2.C44H25N3O.C39H22N4O/c1-2-13-34(14-3-1)55-44-19-9-6-16-36(44)42-29-33(24-27-46(42)55)49-40-26-22-31-12-4-5-15-35(31)50(40)54-52(53-49)56-45-20-10-7-17-37(45)43-28-32-23-25-39-38-18-8-11-21-48(38)57-51(39)41(32)30-47(43)56;1-2-11-28-26(10-1)20-23-34-42(28)47-46(48-43(34)35-16-9-15-32-30-13-4-7-18-40(30)50-44(32)35)49-38-17-6-3-12-29(38)37-24-27-21-22-33-31-14-5-8-19-41(31)51-45(33)36(27)25-39(37)49;1-2-12-26(13-3-1)41-40-32-18-6-4-14-28(32)29-15-5-7-19-33(29)42(40)46-44(45-41)47-37-20-10-8-16-30(37)36-24-27-22-23-34-31-17-9-11-21-39(31)48-43(34)35(27)25-38(36)47;1-2-10-26-23(8-1)15-18-30-36(25-9-7-19-40-22-25)41-39(42-37(26)30)43-33-13-5-3-11-27(33)32-20-24-16-17-29-28-12-4-6-14-35(28)44-38(29)31(24)21-34(32)43/h1-30H;1-25H;1-25H;1-22H
• InChIKey: ASMJDXCHUBONSC-UHFFFAOYSA-N
• XLogP: 47.94
• TPSA: 206.36 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2552.90
LogP ≤ 5	47.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (CID 157216548) is 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4cc5ccc6c7ccccc7oc6c5cc43)nc3c4ccccc4c4ccccc4c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccc8c9ccccc9oc8c7cc65)nc5c4ccc4ccccc45)ccc32)cc1.c1ccc2c(c1)ccc1c(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4cc5ccc6c7ccccc7oc6c5cc43)nc12.c1cncc(-c2nc(-n3c4ccccc4c4cc5ccc6c7ccccc7oc6c5cc43)nc3c2ccc2ccccc23)c1.

What is the InChIKey of 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The InChIKey is ASMJDXCHUBONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O.C46H25N3O2.C44H25N3O.C39H22N4O/c1-2-13-34(14-3-1)55-44-19-9-6-16-36(44)42-29-33(24-27-46(42)55)49-40-26-22-31-12-4-5-15-35(31)50(40)54-52(53-49)56-45-20-10-7-17-37(45)43-28-32-23-25-39-38-18-8-11-21-48(38)57-51(39)41(32)30-47(43)56;1-2-11-28-26(10-1)20-23-34-42(28)47-46(48-43(34)35-16-9-15-32-30-13-4-7-18-40(30)50-44(32)35)49-38-17-6-3-12-29(38)37-24-27-21-22-33-31-14-5-8-19-41(31)51-45(33)36(27)25-39(37)49;1-2-12-26(13-3-1)41-40-32-18-6-4-14-28(32)29-15-5-7-19-33(29)42(40)46-44(45-41)47-37-20-10-8-16-30(37)36-24-27-22-23-34-31-17-9-11-21-39(31)48-43(34)35(27)25-38(36)47;1-2-10-26-23(8-1)15-18-30-36(25-9-7-19-40-22-25)41-39(42-37(26)30)43-33-13-5-3-11-27(33)32-20-24-16-17-29-28-12-4-6-14-35(28)44-38(29)31(24)21-34(32)43/h1-30H;1-25H;1-25H;1-22H.

What are the key properties of 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene has a molecular weight of 2552.90 g/mol, XLogP of 47.94, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 157216548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).