8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium

C18H13BrNY- — CID 58410439

IUPAC8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium
SMILES[CH2-]c1cc2c3cc(Br)ccc3n(C)c2c2ccccc12.[Y]
InChIInChI=1S/C18H13BrN.Y/c1-11-9-16-15-10-12(19)7-8-17(15)20(2)18(16)14-6-4-3-5-13(11)14;/h3-10H,1H2,2H3;/q-1;
InChIKeyODFNNHZYCIVGTM-UHFFFAOYSA-N
MW412.12 g/mol
LogP5.43
Rot. Bonds

About 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium

8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium (PubChem CID 58410439) has the molecular formula C18H13BrNY- and a molecular weight of 412.12 g/mol. Its IUPAC name is 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium.

Molecular Properties

Compound Name8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium
PubChem CID58410439
Molecular FormulaC18H13BrNY-
Molecular Weight412.12 g/mol
Exact Mass410.93
IUPAC Name8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium
SMILES[CH2-]c1cc2c3cc(Br)ccc3n(C)c2c2ccccc12.[Y]
InChIInChI=1S/C18H13BrN.Y/c1-11-9-16-15-10-12(19)7-8-17(15)20(2)18(16)14-6-4-3-5-13(11)14;/h3-10H,1H2,2H3;/q-1;
InChIKeyODFNNHZYCIVGTM-UHFFFAOYSA-N
XLogP5.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.12
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-9-methylpyrido[2,3-b]indole
CID 19439810
6-bromo-9-methylpyrido[3,4-b]indol-1-amine
CID 115051036
2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025396
5,11-dimethylbenzo[a]carbazole
CID 58410472
3-bromo-9-methyl-1-phenylcarbazole
CID 163978130
4-bromo-8,10,13,15-tetrazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2(7),3,5,9,11,13,16,18,20,22(26),23-dodecaene
CID 149498274
CID 147627416
CID 147627416
11-methyl-5-pyridin-2-ylbenzo[a]carbazole
CID 58410525
5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium
CID 58410433
8-bromo-9-(8-bromo-5-methylindeno[1,2-b]indol-9-id-9-yl)sulfanyl-5-methylindeno[1,2-b]indol-9-ide;zirconium(4+);dichloride
CID 87162201
9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 56673067
7-bromo-4-methylthieno[2,3-b]indole
CID 23210578

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium?
The IUPAC name of 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium (CID 58410439) is 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium.
What is the SMILES notation for 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium?
The canonical SMILES for 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium is [CH2-]c1cc2c3cc(Br)ccc3n(C)c2c2ccccc12.[Y].
What is the InChIKey of 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium?
The InChIKey is ODFNNHZYCIVGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN.Y/c1-11-9-16-15-10-12(19)7-8-17(15)20(2)18(16)14-6-4-3-5-13(11)14;/h3-10H,1H2,2H3;/q-1;.
What are the key properties of 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium?
8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium has a molecular weight of 412.12 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium is sourced from PubChem (CID 58410439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).