9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene

C34H25BN2 — CID 174113255

IUPAC9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene
SMILESCc1cc2c3c4c1c1ccccc1n4-c1ccccc1B3N1c3ccccc3C(C)(C)c3cccc-2c31
InChIInChI=1S/C34H25BN2/c1-20-19-23-21-12-10-14-25-32(21)37(28-17-8-5-13-24(28)34(25,2)3)35-26-15-6-9-18-29(26)36-27-16-7-4-11-22(27)30(20)33(36)31(23)35/h4-19H,1-3H3
InChIKeyXLKGPECZFXQJRE-UHFFFAOYSA-N
MW472.40 g/mol
LogP6.97
Rot. Bonds

About 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene

9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene (PubChem CID 174113255) has the molecular formula C34H25BN2 and a molecular weight of 472.40 g/mol. Its IUPAC name is 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene.

Molecular Properties

Compound Name9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene
PubChem CID174113255
Molecular FormulaC34H25BN2
Molecular Weight472.40 g/mol
Exact Mass472.21
IUPAC Name9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene
SMILESCc1cc2c3c4c1c1ccccc1n4-c1ccccc1B3N1c3ccccc3C(C)(C)c3cccc-2c31
InChIInChI=1S/C34H25BN2/c1-20-19-23-21-12-10-14-25-32(21)37(28-17-8-5-13-24(28)34(25,2)3)35-26-15-6-9-18-29(26)36-27-16-7-4-11-22(27)30(20)33(36)31(23)35/h4-19H,1-3H3
InChIKeyXLKGPECZFXQJRE-UHFFFAOYSA-N
XLogP6.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.40
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene with MolForge

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Related Compounds

5,5,18,30-tetramethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.04,12.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4(12),6,8,10,13,16(33),17,19(34),20,22,24,27(32),28,30-pentadecaene
CID 174114548
17-methyl-9,9,30-triphenyl-29-oxa-2,25-diaza-1-boradecacyclo[16.16.2.12,10.03,8.015,35.019,24.025,36.026,34.028,32.014,37]heptatriaconta-3,5,7,10,12,14(37),15(35),16,18(36),19,21,23,26,28(32),30,33-hexadecaene
CID 174115173
17-methyl-9,9,30-triphenyl-29-oxa-2,25,31-triaza-1-boradecacyclo[16.16.2.12,10.03,8.015,35.019,24.025,36.026,34.028,32.014,37]heptatriaconta-3,5,7,10,12,14(37),15(35),16,18(36),19,21,23,26,28(32),30,33-hexadecaene
CID 174115003
8,8,19-trimethyl-28-phenyl-1,28-diaza-29-boranonacyclo[15.14.1.02,7.03,29.09,32.010,15.018,31.021,30.022,27]dotriaconta-2,4,6,9(32),10,12,14,16,18(31),19,21(30),22,24,26-tetradecaene
CID 174113532
18-(9,9-dimethylacridin-10-yl)-12,12,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3,5(13),6,8,10,14,16,18,20,22,24,27(32),28,30,33-pentadecaene
CID 174114132
18-(9,9-dimethylacridin-10-yl)-2-phenyl-12-thia-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,6,8,10,13,16,18,20,22,24,27,29,31,33-pentadecaene
CID 174114044
36,55-bis(2,6-dimethylphenyl)-2,19,27,44-tetraza-1,26-diborahexadecacyclo[35.13.2.29,12.12,29.14,27.03,28.010,26.011,19.013,18.020,25.034,51.038,43.044,52.045,50.08,54.033,53]hexapentaconta-3(28),4(54),5,7,9(56),10,12(55),13,15,17,20,22,24,29(53),30,32,34,36,38,40,42,45,47,49,51-pentacosaene
CID 172507983
18-(9,9-dimethylfluoren-3-yl)-6,6,30-trimethyl-2-(4-methylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene
CID 174114415
18-(9,9-dimethylfluoren-4-yl)-9-phenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.021,26]hentriaconta-2,4,6,10,12,14,16,18,20(29),21,23,25,27,30-tetradecaene
CID 174113328
17-methyl-9,9-diphenyl-2,20-diaza-1-boradecacyclo[17.16.1.12,10.120,31.03,8.015,36.021,30.024,29.014,38.035,37]octatriaconta-3,5,7,10,12,14(38),15(36),16,18,21(30),22,24,26,28,31,33,35(37)-heptadecaene
CID 174127086
13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-8,8-dimethyl-5-phenylindolo[2,3-c]acridine
CID 168759787
32-(2,4-dimethylphenyl)-29,29-dimethyl-N,N-diphenyl-13,32-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.019,31.022,30.023,28.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),19(31),20,22(30),23,25,27-pentadecaen-16-amine
CID 174125345

Frequently Asked Questions

What is the IUPAC name of 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene?
The IUPAC name of 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene (CID 174113255) is 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene.
What is the SMILES notation for 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene?
The canonical SMILES for 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene is Cc1cc2c3c4c1c1ccccc1n4-c1ccccc1B3N1c3ccccc3C(C)(C)c3cccc-2c31.
What is the InChIKey of 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene?
The InChIKey is XLKGPECZFXQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25BN2/c1-20-19-23-21-12-10-14-25-32(21)37(28-17-8-5-13-24(28)34(25,2)3)35-26-15-6-9-18-29(26)36-27-16-7-4-11-22(27)30(20)33(36)31(23)35/h4-19H,1-3H3.
What are the key properties of 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene?
9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene has a molecular weight of 472.40 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,17-trimethyl-2,25-diaza-1-boranonacyclo[16.13.2.12,10.03,8.015,32.019,24.025,33.026,31.014,34]tetratriaconta-3,5,7,10,12,14(34),15(32),16,18(33),19,21,23,26,28,30-pentadecaene is sourced from PubChem (CID 174113255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).