7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene

C32H15N5O2 — CID 146652530

IUPAC7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene
SMILESc1ccc2c(c1)oc1cc3nc4n(c3cc12)c1cccc2c1n4c1nc3ccc4c5ccccc5oc4c3n21
InChIInChI=1S/C32H15N5O2/c1-4-11-26-16(6-1)18-12-13-20-28(30(18)39-26)36-23-9-5-8-22-29(23)37(32(36)33-20)31-34-21-15-27-19(14-24(21)35(22)31)17-7-2-3-10-25(17)38-27/h1-15H
InChIKeyJCGWKSCATBIWSK-UHFFFAOYSA-N
MW501.51 g/mol
LogP7.93
Rot. Bonds

About 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene

7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene (PubChem CID 146652530) has the molecular formula C32H15N5O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene.

Molecular Properties

Compound Name7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene
PubChem CID146652530
Molecular FormulaC32H15N5O2
Molecular Weight501.51 g/mol
Exact Mass501.12
IUPAC Name7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene
SMILESc1ccc2c(c1)oc1cc3nc4n(c3cc12)c1cccc2c1n4c1nc3ccc4c5ccccc5oc4c3n21
InChIInChI=1S/C32H15N5O2/c1-4-11-26-16(6-1)18-12-13-20-28(30(18)39-26)36-23-9-5-8-22-29(23)37(32(36)33-20)31-34-21-15-27-19(14-24(21)35(22)31)17-7-2-3-10-25(17)38-27/h1-15H
InChIKeyJCGWKSCATBIWSK-UHFFFAOYSA-N
XLogP7.93
TPSA65.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene with MolForge

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Related Compounds

6,33-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.07,12.018,39.023,38.024,36.026,34.027,32]nonatriaconta-2,4(16),5(13),7,9,11,14,18(39),19,21,24(36),25,27,29,31,34,37-heptadecaene
CID 146651899
6-oxa-1,3,17,23,38-pentazaundecacyclo[20.17.1.02,17.04,16.05,13.07,12.018,40.023,39.024,37.025,30.031,36]tetraconta-2,4(16),5(13),7,9,11,14,18(40),19,21,24(37),25,27,29,31,33,35,38-octadecaene
CID 146651894
12,12-dimethyl-27-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.026,34.028,33]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25,28,30,32,34,37-heptadecaene
CID 146652406
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.05,10.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15(33),16,18,21,23,25,27,29,31-pentadecaene
CID 146652400
5-methylbenzimidazolo[1,2-a]benzimidazole;bis(9-methylcarbazole);2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;toluene
CID 162116737
4-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.05,10.020,28.022,27]octacosa-2(14),3(11),5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;6-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22,24,26-dodecaene-15,21-dione;10-oxa-1-azaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;11-oxa-1-azaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22,24,26-dodecaene-15,21-dione;12-oxa-1-azaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene-15,21-dione
CID 165003552
6-(21-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11(16),12,14,18,20(28),22,24,26-tridecaen-14-yl)-27-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3(8),4,6,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 146513016
27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
CID 134434013
3-dibenzofuran-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzofuran-3-yl-18-phenyl-17-(3-phenylphenyl)-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene;3-dibenzothiophen-3-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene
CID 161385807
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085
11-oxa-1,21,32-triazanonacyclo[17.14.1.02,14.04,12.05,10.015,34.020,33.022,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15(34),16,18,20,22,24,26,28,30,32-hexadecaene
CID 129092585

Frequently Asked Questions

What is the IUPAC name of 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene?
The IUPAC name of 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene (CID 146652530) is 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene.
What is the SMILES notation for 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene?
The canonical SMILES for 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene is c1ccc2c(c1)oc1cc3nc4n(c3cc12)c1cccc2c1n4c1nc3ccc4c5ccccc5oc4c3n21.
What is the InChIKey of 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene?
The InChIKey is JCGWKSCATBIWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H15N5O2/c1-4-11-26-16(6-1)18-12-13-20-28(30(18)39-26)36-23-9-5-8-22-29(23)37(32(36)33-20)31-34-21-15-27-19(14-24(21)35(22)31)17-7-2-3-10-25(17)38-27/h1-15H.
What are the key properties of 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene?
7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene has a molecular weight of 501.51 g/mol, XLogP of 7.93, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,26-dioxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.027,32]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),27,29,31,34,37-heptadecaene is sourced from PubChem (CID 146652530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).