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

C41H23N3O2 — CID 163653175

IUPAC28,28-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
SMILESCC1(C)c2ccc3oc4ccc5c6c4c3c2c2c1ccc1oc3ccc(c6c3c12)n5-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C41H23N3O2/c1-41(2)21-12-16-27-35-31(21)32-22(41)13-17-28-36(32)38-30(46-28)19-15-26-34(38)33-25(14-18-29(45-27)37(33)35)44(26)40-39(20-8-4-3-5-9-20)42-23-10-6-7-11-24(23)43-40/h3-19H,1-2H3
InChIKeySARHAGBDHPXPPP-UHFFFAOYSA-N
MW589.65 g/mol
LogP10.86
Rot. Bonds2

About 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

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 (PubChem CID 163653175) has the molecular formula C41H23N3O2 and a molecular weight of 589.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name28,28-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
PubChem CID163653175
Molecular FormulaC41H23N3O2
Molecular Weight589.65 g/mol
Exact Mass589.18
IUPAC Name28,28-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
SMILESCC1(C)c2ccc3oc4ccc5c6c4c3c2c2c1ccc1oc3ccc(c6c3c12)n5-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C41H23N3O2/c1-41(2)21-12-16-27-35-31(21)32-22(41)13-17-28-36(32)38-30(46-28)19-15-26-34(38)33-25(14-18-29(45-27)37(33)35)44(26)40-39(20-8-4-3-5-9-20)42-23-10-6-7-11-24(23)43-40/h3-19H,1-2H3
InChIKeySARHAGBDHPXPPP-UHFFFAOYSA-N
XLogP10.86
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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
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
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
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
29-(3-phenylquinoxalin-2-yl)-30-oxa-29-azaoctacyclo[24.2.1.120,23.02,7.09,28.010,15.016,21.022,27]triaconta-1(28),2,4,6,8,10,12,14,16(21),17,19,22,24,26-tetradecaene
CID 163482213
22-phenyl-18-(3-phenylquinoxalin-2-yl)-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19(24),20,22-dodecaene
CID 162770291
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-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
CID 156560140
8-(9,9-dimethylfluoren-1-yl)-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570363
8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14,14-dimethyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159365255

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc3oc4ccc5c6c4c3c2c2c1ccc1oc3ccc(c6c3c12)n5-c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is SARHAGBDHPXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N3O2/c1-41(2)21-12-16-27-35-31(21)32-22(41)13-17-28-36(32)38-30(46-28)19-15-26-34(38)33-25(14-18-29(45-27)37(33)35)44(26)40-39(20-8-4-3-5-9-20)42-23-10-6-7-11-24(23)43-40/h3-19H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 589.65 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163653175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).