hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene

C32H19BO4 — CID 134904289

IUPAChydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene
SMILES[H+].c1ccc2c(c1)O[B-]13Oc4ccccc4-c4cc5ccccc5c(c4O1)-c1c(c-2cc2ccccc12)O3
InChIInChI=1S/C32H18BO4/c1-3-11-21-19(9-1)17-25-23-13-5-7-15-27(23)34-33-35-28-16-8-6-14-24(28)26-18-20-10-2-4-12-22(20)30(32(26)37-33)29(21)31(25)36-33/h1-18H/q-1/p+1
InChIKeyFTOWPWAWFIPDNH-UHFFFAOYSA-O
MW478.31 g/mol
LogP8.10
Rot. Bonds

About hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene

hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene (PubChem CID 134904289) has the molecular formula C32H19BO4 and a molecular weight of 478.31 g/mol. Its IUPAC name is hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene.

Molecular Properties

Compound Namehydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene
PubChem CID134904289
Molecular FormulaC32H19BO4
Molecular Weight478.31 g/mol
Exact Mass478.14
IUPAC Namehydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene
SMILES[H+].c1ccc2c(c1)O[B-]13Oc4ccccc4-c4cc5ccccc5c(c4O1)-c1c(c-2cc2ccccc12)O3
InChIInChI=1S/C32H18BO4/c1-3-11-21-19(9-1)17-25-23-13-5-7-15-27(23)34-33-35-28-16-8-6-14-24(28)26-18-20-10-2-4-12-22(20)30(32(26)37-33)29(21)31(25)36-33/h1-18H/q-1/p+1
InChIKeyFTOWPWAWFIPDNH-UHFFFAOYSA-O
XLogP8.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.31
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene with MolForge

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Related Compounds

hydron;13,13'-spirobi[12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
CID 134904349
4,4'-spirobi[3,5-dioxa-4-boranuidatricyclo[7.4.0.02,6]trideca-1(13),2(6),7,9,11-pentaene]
CID 58795481
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 21480
[(1R,2R)-2-azaniumylcyclohexyl]azanium;2,23,25,46,47,50,51,54-octaoxa-1,24-diboranuidatridecacyclo[34.10.2.21,4.221,24.224,27.03,12.06,11.013,22.014,19.026,35.029,34.037,42.044,48]tetrapentaconta-3(12),4,6,8,10,13(22),14,16,18,20,26(35),27,29,31,33,36(48),37,39,41,43-icosaene
CID 53231513
4,6-diphenoxy-3',23'-diphenylspiro[1,3,5-trioxa-4,6-dibora-2-boranuidacyclohexane-2,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
CID 134943900
13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 102147274
10-(4-benzo[a]anthracen-7-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 171045361
14-benzo[a]anthracen-12-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 171045518
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 175690416
14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene
CID 171757612
13-methyl-10,16-bis(4-phenylphenyl)-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 135083340

Frequently Asked Questions

What is the IUPAC name of hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene?
The IUPAC name of hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene (CID 134904289) is hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene.
What is the SMILES notation for hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene?
The canonical SMILES for hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene is [H+].c1ccc2c(c1)O[B-]13Oc4ccccc4-c4cc5ccccc5c(c4O1)-c1c(c-2cc2ccccc12)O3.
What is the InChIKey of hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene?
The InChIKey is FTOWPWAWFIPDNH-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H18BO4/c1-3-11-21-19(9-1)17-25-23-13-5-7-15-27(23)34-33-35-28-16-8-6-14-24(28)26-18-20-10-2-4-12-22(20)30(32(26)37-33)29(21)31(25)36-33/h1-18H/q-1/p+1.
What are the key properties of hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene?
hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene has a molecular weight of 478.31 g/mol, XLogP of 8.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2,33,34,37-tetraoxa-1-boranuidanonacyclo[16.15.2.21,9.03,8.011,16.019,24.026,35.027,32.017,36]heptatriaconta-3,5,7,9,11,13,15,17(36),18(35),19,21,23,25,27,29,31-hexadecaene is sourced from PubChem (CID 134904289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).