3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium

C14H12LrN- — CID 70790261

IUPAC3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium
SMILESCC1(C)C=Nc2c1ccc1ccc[c-]c21.[Lr]
InChIInChI=1S/C14H12N.Lr/c1-14(2)9-15-13-11-6-4-3-5-10(11)7-8-12(13)14;/h3-5,7-9H,1-2H3;/q-1;
InChIKeyXNPYINMBMBMSDS-UHFFFAOYSA-N
MW456.26 g/mol
LogP3.63
Rot. Bonds

About 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium

3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium (PubChem CID 70790261) has the molecular formula C14H12LrN- and a molecular weight of 456.26 g/mol. Its IUPAC name is 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium.

Molecular Properties

Compound Name3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium
PubChem CID70790261
Molecular FormulaC14H12LrN-
Molecular Weight456.26 g/mol
Exact Mass456.21
IUPAC Name3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium
SMILESCC1(C)C=Nc2c1ccc1ccc[c-]c21.[Lr]
InChIInChI=1S/C14H12N.Lr/c1-14(2)9-15-13-11-6-4-3-5-10(11)7-8-12(13)14;/h3-5,7-9H,1-2H3;/q-1;
InChIKeyXNPYINMBMBMSDS-UHFFFAOYSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.26
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium?
The IUPAC name of 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium (CID 70790261) is 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium.
What is the SMILES notation for 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium?
The canonical SMILES for 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium is CC1(C)C=Nc2c1ccc1ccc[c-]c21.[Lr].
What is the InChIKey of 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium?
The InChIKey is XNPYINMBMBMSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N.Lr/c1-14(2)9-15-13-11-6-4-3-5-10(11)7-8-12(13)14;/h3-5,7-9H,1-2H3;/q-1;.
What are the key properties of 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium?
3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium has a molecular weight of 456.26 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-9H-benzo[g]indol-9-ide;lawrencium is sourced from PubChem (CID 70790261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).