15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

C151H94N12O — CID 163664791

About 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (PubChem CID 163664791) has the molecular formula C151H94N12O and a molecular weight of 2092.50 g/mol. Its IUPAC name is 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

Molecular Properties

• Compound Name: 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
• PubChem CID: 163664791
• Molecular Formula: C151H94N12O
• Molecular Weight: 2092.50 g/mol
• Exact Mass: 2090.77
• IUPAC Name: 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
• SMILES: CC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc(-c7ccccc7)c7ccccc7n1)c6ccc4n5-c1ccccc1)c23.CC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc7ccc8ccccc8c7nc1-c1ccccc1)c6ccc4n5-c1ccccc1)c23.CC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc7ccccc7nc1-c1cccc7oc8ccccc8c17)c6ccc4n5-c1ccccc1)c23
• InChI: InChI=1S/C53H32N4O.C51H32N4.C47H30N4/c1-53(2)34-19-10-16-30-31-17-11-22-38-46(31)48-39(56(38)29-13-4-3-5-14-29)27-28-41-50(48)49-40(26-25-35(53)47(49)45(30)34)57(41)52-51(54-36-20-7-8-21-37(36)55-52)33-18-12-24-43-44(33)32-15-6-9-23-42(32)58-43;1-51(2)35-21-11-19-33-34-20-12-22-38-43(34)45-39(54(38)31-16-7-4-8-17-31)27-28-41-47(45)46-40(26-24-36(51)44(46)42(33)35)55(41)50-48(30-14-5-3-6-15-30)53-49-32-18-10-9-13-29(32)23-25-37(49)52-50;1-47(2)32-20-11-18-29-30-19-12-22-35-40(30)42-36(50(35)28-15-7-4-8-16-28)25-26-38-44(42)43-37(24-23-33(47)41(43)39(29)32)51(38)46-48-34-21-10-9-17-31(34)45(49-46)27-13-5-3-6-14-27/h3-28H,1-2H3;3-28H,1-2H3;3-26H,1-2H3/b31-30-;34-33-;30-29-
• InChIKey: IXLGNPAGIOCSED-YZQZIQPZSA-N
• XLogP: 38.68
• TPSA: 120.06 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.50
LogP ≤ 5	38.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The IUPAC name of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (CID 163664791) is 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

What is the SMILES notation for 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The canonical SMILES for 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is CC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc(-c7ccccc7)c7ccccc7n1)c6ccc4n5-c1ccccc1)c23.CC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc7ccc8ccccc8c7nc1-c1ccccc1)c6ccc4n5-c1ccccc1)c23.CC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc7ccccc7nc1-c1cccc7oc8ccccc8c17)c6ccc4n5-c1ccccc1)c23.

What is the InChIKey of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

The InChIKey is IXLGNPAGIOCSED-YZQZIQPZSA-N. The full InChI is InChI=1S/C53H32N4O.C51H32N4.C47H30N4/c1-53(2)34-19-10-16-30-31-17-11-22-38-46(31)48-39(56(38)29-13-4-3-5-14-29)27-28-41-50(48)49-40(26-25-35(53)47(49)45(30)34)57(41)52-51(54-36-20-7-8-21-37(36)55-52)33-18-12-24-43-44(33)32-15-6-9-23-42(32)58-43;1-51(2)35-21-11-19-33-34-20-12-22-38-43(34)45-39(54(38)31-16-7-4-8-17-31)27-28-41-47(45)46-40(26-24-36(51)44(46)42(33)35)55(41)50-48(30-14-5-3-6-15-30)53-49-32-18-10-9-13-29(32)23-25-37(49)52-50;1-47(2)32-20-11-18-29-30-19-12-22-35-40(30)42-36(50(35)28-15-7-4-8-16-28)25-26-38-44(42)43-37(24-23-33(47)41(43)39(29)32)51(38)46-48-34-21-10-9-17-31(34)45(49-46)27-13-5-3-6-14-27/h3-28H,1-2H3;3-28H,1-2H3;3-26H,1-2H3/b31-30-;34-33-;30-29-.

What are the key properties of 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?

15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene has a molecular weight of 2092.50 g/mol, XLogP of 38.68, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20,20-dimethyl-10-phenyl-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(2-phenylbenzo[f]quinoxalin-3-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene;20,20-dimethyl-10-phenyl-15-(4-phenylquinazolin-2-yl)-10,15-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is sourced from PubChem (CID 163664791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).