About 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 157435034) has the molecular formula C196H118N22O6
and a molecular weight of 2877.25 g/mol. Its IUPAC name is 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
Frequently Asked Questions
What is the IUPAC name of 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 157435034) is 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1cc(-c2ccc3nc4c5ccccc5oc4n3c2)cc(-c2cc3cccnc3c3ncccc23)c1.c1cc(-c2ccc3ncc4ccccc4c3c2)cc(-c2ccc3nc4c5ccccc5oc4n3c2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5nc6c7ccccc7oc6n5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6c7ccccc7oc6n5c4)cc3)n2)cc1.c1ccc2c(c1)cnc1ccc(-c3ccc(-c4ccc5nc6c7ccccc7oc6n5c4)cc3)cc12.c1cnc2c(c1)cc(-c1ccc(-c3ccc4nc5c6ccccc6oc5n4c3)cc1)c1ccccc12.
What is the InChIKey of 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is BQZOJMXITYULOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4O.C34H21N5O.3C32H19N3O.C31H18N4O/c1-3-10-23(11-4-1)29-21-30(24-12-5-2-6-13-24)37-34(36-29)26-15-9-14-25(20-26)27-18-19-32-38-33-28-16-7-8-17-31(28)40-35(33)39(32)22-27;1-3-9-23(10-4-1)31-36-32(24-11-5-2-6-12-24)38-33(37-31)25-17-15-22(16-18-25)26-19-20-29-35-30-27-13-7-8-14-28(27)40-34(30)39(29)21-26;1-2-8-25-24(7-1)27(18-22-6-5-17-33-30(22)25)21-13-11-20(12-14-21)23-15-16-29-34-31-26-9-3-4-10-28(26)36-32(31)35(29)19-23;1-2-9-25-23(6-1)18-33-28-14-12-22(17-27(25)28)20-7-5-8-21(16-20)24-13-15-30-34-31-26-10-3-4-11-29(26)36-32(31)35(30)19-24;1-2-6-25-23(5-1)18-33-28-15-13-22(17-27(25)28)20-9-11-21(12-10-20)24-14-16-30-34-31-26-7-3-4-8-29(26)36-32(31)35(30)19-24;1-2-11-26-24(9-1)30-31(36-26)35-18-22(12-13-27(35)34-30)19-6-3-7-20(16-19)25-17-21-8-4-14-32-28(21)29-23(25)10-5-15-33-29/h1-22H;1-21H;3*1-19H;1-18H.
What are the key properties of 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 2877.25 g/mol, XLogP of 49.25, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzo[h]quinolin-6-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(3-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-(4-phenanthridin-2-ylphenyl)-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 157435034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).