26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene

C34H21BN2O — CID 162428008

IUPAC26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene
SMILESCC1(C)c2ccccc2-c2c1cc1ncn3c1c2B1c2ccc4oc5ccccc5c4c2-c2cccc-3c21
InChIInChI=1S/C34H21BN2O/c1-34(2)21-11-5-3-8-18(21)28-22(34)16-24-33-32(28)35-23-14-15-27-30(19-9-4-6-13-26(19)38-27)29(23)20-10-7-12-25(31(20)35)37(33)17-36-24/h3-17H,1-2H3
InChIKeyUIBJNFZZDIIGFD-UHFFFAOYSA-N
MW484.37 g/mol
LogP6.04
Rot. Bonds

About 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene

26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene (PubChem CID 162428008) has the molecular formula C34H21BN2O and a molecular weight of 484.37 g/mol. Its IUPAC name is 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene.

Molecular Properties

Compound Name26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene
PubChem CID162428008
Molecular FormulaC34H21BN2O
Molecular Weight484.37 g/mol
Exact Mass484.17
IUPAC Name26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene
SMILESCC1(C)c2ccccc2-c2c1cc1ncn3c1c2B1c2ccc4oc5ccccc5c4c2-c2cccc-3c21
InChIInChI=1S/C34H21BN2O/c1-34(2)21-11-5-3-8-18(21)28-22(34)16-24-33-32(28)35-23-14-15-27-30(19-9-4-6-13-26(19)38-27)29(23)20-10-7-12-25(31(20)35)37(33)17-36-24/h3-17H,1-2H3
InChIKeyUIBJNFZZDIIGFD-UHFFFAOYSA-N
XLogP6.04
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.37
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene with MolForge

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Related Compounds

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CID 174140050
4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole
CID 154970897
6-tert-butyl-9-dibenzofuran-1-yl-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene
CID 163699900
ethane;17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 142357713
14,14-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-19-methyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164755613
1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334387
13-dibenzofuran-2-yl-9,9-dimethyl-23-oxa-13,28-diaza-27-boradodecacyclo[25.16.1.128,39.02,10.03,8.012,44.014,26.016,24.017,22.029,38.032,37.043,45]pentatetraconta-1,3,5,7,10,12(44),14,16(24),17,19,21,25,29(38),30,32,34,36,39(45),40,42-icosaene
CID 174017219
6-tert-butyl-N,N-bis(4-tert-butylphenyl)-9-dibenzofuran-1-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-12-amine
CID 163483770
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CID 176747759
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
CID 152826591

Frequently Asked Questions

What is the IUPAC name of 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene?
The IUPAC name of 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene (CID 162428008) is 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene.
What is the SMILES notation for 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene?
The canonical SMILES for 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene is CC1(C)c2ccccc2-c2c1cc1ncn3c1c2B1c2ccc4oc5ccccc5c4c2-c2cccc-3c21.
What is the InChIKey of 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene?
The InChIKey is UIBJNFZZDIIGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21BN2O/c1-34(2)21-11-5-3-8-18(21)28-22(34)16-24-33-32(28)35-23-14-15-27-30(19-9-4-6-13-26(19)38-27)29(23)20-10-7-12-25(31(20)35)37(33)17-36-24/h3-17H,1-2H3.
What are the key properties of 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene?
26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene has a molecular weight of 484.37 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26,26-dimethyl-6-oxa-20,22-diaza-1-boradecacyclo[17.15.1.120,23.02,14.05,13.07,12.015,35.025,33.027,32.034,36]hexatriaconta-2(14),3,5(13),7,9,11,15(35),16,18,21,23(36),24,27,29,31,33-hexadecaene is sourced from PubChem (CID 162428008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).