(4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane

C19H17AlN2 — CID 159079009

IUPAC(4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane
SMILESCc1cccc2c1-n1c(nc3c1-c1c(ccc([AlH2])c1C)C3)C2
InChIInChI=1S/C19H15N2.Al.2H/c1-11-5-3-7-13-9-15-19(17(11)13)21-16(20-15)10-14-8-4-6-12(2)18(14)21;;;/h3-4,6-8H,9-10H2,1-2H3;;;
InChIKeyWHRCGQMVVWBGFS-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.22
Rot. Bonds

About (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane

(4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane (PubChem CID 159079009) has the molecular formula C19H17AlN2 and a molecular weight of 300.34 g/mol. Its IUPAC name is (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane.

Molecular Properties

Compound Name(4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane
PubChem CID159079009
Molecular FormulaC19H17AlN2
Molecular Weight300.34 g/mol
Exact Mass300.12
IUPAC Name(4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane
SMILESCc1cccc2c1-n1c(nc3c1-c1c(ccc([AlH2])c1C)C3)C2
InChIInChI=1S/C19H15N2.Al.2H/c1-11-5-3-7-13-9-15-19(17(11)13)21-16(20-15)10-14-8-4-6-12(2)18(14)21;;;/h3-4,6-8H,9-10H2,1-2H3;;;
InChIKeyWHRCGQMVVWBGFS-UHFFFAOYSA-N
XLogP2.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane with MolForge

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Related Compounds

4,19-dimethyl-2,9-diaza-19-azoniapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15(20),16,18-nonaene
CID 159791463
4,5-dimethyl-9H-fluorene
CID 14389533
3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 159518197
4,10-dimethyl-9H-acridine
CID 159483382
4-methyl-8,9,10,11-tetrahydro-7H-indolo[1,2-b]indazole
CID 102325231
3,4,9-trimethyl-5H-indeno[1,2-b]pyridine
CID 157341185
4-fluoro-5-methyl-9H-fluorene
CID 23235354
ethane;11H-indolo[1,2-a]benzimidazole
CID 160799829
5,13-dimethyl-4-(2-methylphenyl)-4,12-diaza-5-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,5,7,11(16),12,14-heptaene
CID 158512896
3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium
CID 157469544
1,3,4,5-tetramethyl-9H-fluorene
CID 158222365
3,19-dimethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,13(21),15,17,19-octaen-11-yne
CID 158776399

Frequently Asked Questions

What is the IUPAC name of (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane?
The IUPAC name of (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane (CID 159079009) is (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane.
What is the SMILES notation for (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane?
The canonical SMILES for (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane is Cc1cccc2c1-n1c(nc3c1-c1c(ccc([AlH2])c1C)C3)C2.
What is the InChIKey of (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane?
The InChIKey is WHRCGQMVVWBGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2.Al.2H/c1-11-5-3-7-13-9-15-19(17(11)13)21-16(20-15)10-14-8-4-6-12(2)18(14)21;;;/h3-4,6-8H,9-10H2,1-2H3;;;.
What are the key properties of (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane?
(4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane has a molecular weight of 300.34 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,18-dimethyl-1,11-diazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaen-5-yl)alumane is sourced from PubChem (CID 159079009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).