12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene

C30H16N2O2 — CID 142744192

IUPAC12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene
SMILESc1ccc2c(c1)oc1ccc3[nH]c4cc5[nH]c6ccc7oc8ccccc8c7c6c5cc4c3c12
InChIInChI=1S/C30H16N2O2/c1-3-7-23-15(5-1)29-25(33-23)11-9-19-27(29)17-13-18-22(14-21(17)31-19)32-20-10-12-26-30(28(18)20)16-6-2-4-8-24(16)34-26/h1-14,31-32H
InChIKeyGAWPBEUOBWLDPC-UHFFFAOYSA-N
MW436.47 g/mol
LogP8.75
Rot. Bonds

About 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene

12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene (PubChem CID 142744192) has the molecular formula C30H16N2O2 and a molecular weight of 436.47 g/mol. Its IUPAC name is 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene.

Molecular Properties

Compound Name12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene
PubChem CID142744192
Molecular FormulaC30H16N2O2
Molecular Weight436.47 g/mol
Exact Mass436.12
IUPAC Name12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene
SMILESc1ccc2c(c1)oc1ccc3[nH]c4cc5[nH]c6ccc7oc8ccccc8c7c6c5cc4c3c12
InChIInChI=1S/C30H16N2O2/c1-3-7-23-15(5-1)29-25(33-23)11-9-19-27(29)17-13-18-22(14-21(17)31-19)32-20-10-12-26-30(28(18)20)16-6-2-4-8-24(16)34-26/h1-14,31-32H
InChIKeyGAWPBEUOBWLDPC-UHFFFAOYSA-N
XLogP8.75
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene with MolForge

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Related Compounds

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CID 176783543
4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 145347853
23-oxa-9,18,36-triazaundecacyclo[25.8.1.02,7.08,34.010,33.011,16.017,32.019,31.022,30.024,29.028,35]hexatriaconta-1(35),2,4,6,8(34),10(33),11,13,15,17(32),19(31),20,22(30),24(29),25,27-hexadecaene
CID 132526373
18-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621732
12-bromo-7H-[1]benzofuro[2,3-b]carbazole
CID 146019056
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
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1-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
CID 68760063
12H-[1]benzofuro[3,2-a]carbazole;ethane
CID 167453025
9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene?
The IUPAC name of 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene (CID 142744192) is 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene.
What is the SMILES notation for 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene?
The canonical SMILES for 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene is c1ccc2c(c1)oc1ccc3[nH]c4cc5[nH]c6ccc7oc8ccccc8c7c6c5cc4c3c12.
What is the InChIKey of 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene?
The InChIKey is GAWPBEUOBWLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N2O2/c1-3-7-23-15(5-1)29-25(33-23)11-9-19-27(29)17-13-18-22(14-21(17)31-19)32-20-10-12-26-30(28(18)20)16-6-2-4-8-24(16)34-26/h1-14,31-32H.
What are the key properties of 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene?
12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene has a molecular weight of 436.47 g/mol, XLogP of 8.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene is sourced from PubChem (CID 142744192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).