2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]

C24H19BN2 — CID 139172658

IUPAC2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]
SMILESCN1c2ccccc2[B-]2(c3ccccc3-c3cccc[n+]32)c2ccccc21
InChIInChI=1S/C24H19BN2/c1-26-23-15-6-4-12-20(23)25(21-13-5-7-16-24(21)26)19-11-3-2-10-18(19)22-14-8-9-17-27(22)25/h2-17H,1H3
InChIKeyLPKICWSBFGKXPF-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.55
Rot. Bonds

About 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]

2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] (PubChem CID 139172658) has the molecular formula C24H19BN2 and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene].

Molecular Properties

Compound Name2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]
PubChem CID139172658
Molecular FormulaC24H19BN2
Molecular Weight346.24 g/mol
Exact Mass346.16
IUPAC Name2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]
SMILESCN1c2ccccc2[B-]2(c3ccccc3-c3cccc[n+]32)c2ccccc21
InChIInChI=1S/C24H19BN2/c1-26-23-15-6-4-12-20(23)25(21-13-5-7-16-24(21)26)19-11-3-2-10-18(19)22-14-8-9-17-27(22)25/h2-17H,1H3
InChIKeyLPKICWSBFGKXPF-UHFFFAOYSA-N
XLogP2.55
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] with MolForge

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Related Compounds

17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 50916808
5-methylphenazin-10-ide
CID 100992210
3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
CID 140839426
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
CID 140839568
10-methyl-1-[1-methyl-6-(10-methylphenothiazin-1-yl)pyridin-1-ium-2-yl]phenothiazine
CID 176631885
tetrakis(2,9-dimethyl-2,9-diaza-16-azanidatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene);iron(2+);iron(3+)
CID 139062815
8,8-diphenyl-7,9-diazonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene chloride
CID 171038567
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635
2-methyl-2-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-yne
CID 135200215
10-methyl-9-[[5-[(10-methylacridin-9-ylidene)methyl]thiophen-2-yl]methylidene]acridine
CID 102043530
N-(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)hydroxylamine
CID 154103165

Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?
The IUPAC name of 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] (CID 139172658) is 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene].
What is the SMILES notation for 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?
The canonical SMILES for 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] is CN1c2ccccc2[B-]2(c3ccccc3-c3cccc[n+]32)c2ccccc21.
What is the InChIKey of 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?
The InChIKey is LPKICWSBFGKXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BN2/c1-26-23-15-6-4-12-20(23)25(21-13-5-7-16-24(21)26)19-11-3-2-10-18(19)22-14-8-9-17-27(22)25/h2-17H,1H3.
What are the key properties of 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene]?
2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] has a molecular weight of 346.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[2-aza-9-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-9,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene] is sourced from PubChem (CID 139172658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).