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

C53H32N4O — CID 154692307

IUPAC15-(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
SMILESCC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc7ccccc7nc1-c1cccc7oc8ccccc8c17)c6ccc4n5-c1ccccc1)c23
InChIInChI=1S/C53H32N4O/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/h3-28H,1-2H3/b31-30-
InChIKeyRKELKGRKMXBIOR-KTMFPKCZSA-N
MW740.87 g/mol
LogP13.77
Rot. Bonds3

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

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 (PubChem CID 154692307) has the molecular formula C53H32N4O and a molecular weight of 740.87 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.

Molecular Properties

Compound Name15-(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
PubChem CID154692307
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name15-(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
SMILESCC1(C)c2cccc3c4cccc5c4c4c6c7c(c1ccc7n(-c1nc7ccccc7nc1-c1cccc7oc8ccccc8c17)c6ccc4n5-c1ccccc1)c23
InChIInChI=1S/C53H32N4O/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/h3-28H,1-2H3/b31-30-
InChIKeyRKELKGRKMXBIOR-KTMFPKCZSA-N
XLogP13.77
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

26,26-dimethyl-25-[3-(4-phenylphenyl)quinoxalin-2-yl]-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 154692482
9-(3-dibenzofuran-1-ylquinoxalin-2-yl)carbazole
CID 166849499
15-(3-dibenzofuran-1-ylquinoxalin-2-yl)-20-phenyl-10-oxa-15,20-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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-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-phenyl-15-(4-phenylquinazolin-2-yl)-10-oxa-15,20-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 163508551
25-(3-dibenzofuran-1-ylquinoxalin-2-yl)-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;25-phenyl-26-(4-phenylquinazolin-2-yl)-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163635567
28,28-dimethyl-10-(3-phenylquinoxalin-2-yl)-5,15-dioxa-10-azanonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1(27),2,4(26),6(25),7,9(24),11(23),12,14(22),16(21),17,19-dodecaene
CID 163653175
26,26-dimethyl-25-[3-(3-phenylphenyl)quinoxalin-2-yl]-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26,26-dimethyl-25-[3-(4-phenylphenyl)quinoxalin-2-yl]-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26,26-dimethyl-25-(3-phenylquinoxalin-2-yl)-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163885191
25-(3-dibenzofuran-1-ylphenyl)-26,26-dimethyl-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;25-(3-dibenzothiophen-1-ylphenyl)-26,26-dimethyl-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;4-(26,26-dimethyl-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline
CID 163512186
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
7-benzo[c]carbazol-7-yl-5-(3-dibenzofuran-2-ylquinoxalin-2-yl)benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-4-yl)quinoxalin-2-yl]benzo[b]carbazole;7-benzo[c]carbazol-7-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 159023975
15-(3-phenylquinoxalin-2-yl)-10,20-dioxa-15-azaoctacyclo[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-(3-phenylquinoxalin-2-yl)-10,15-dioxa-20-azaoctacyclo[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;26-(3-phenylquinoxalin-2-yl)-25-oxa-26-azaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 165096046
8-(3-dibenzofuran-2-ylquinoxalin-2-yl)-26-phenyl-8,26-diazaoctacyclo[16.7.1.04,24.07,23.09,22.012,21.015,20.019,25]hexacosa-1(25),2,4(24),5,7(23),9(22),10,12(21),13,15(20),16,18-dodecaene
CID 162770258
9,9-dimethyl-N-[4-(25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-26-yl)phenyl]-N-phenylfluoren-2-amine
CID 163811679

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?
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 (CID 154692307) 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.
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?
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 is 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?
The InChIKey is RKELKGRKMXBIOR-KTMFPKCZSA-N. The full InChI is InChI=1S/C53H32N4O/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/h3-28H,1-2H3/b31-30-.
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?
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 has a molecular weight of 740.87 g/mol, XLogP of 13.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 154692307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).