2-isocyano-6,9-dimethylcarbazole

C15H12N2 — CID 158421593

IUPAC2-isocyano-6,9-dimethylcarbazole
SMILES[C-]#[N+]c1ccc2c3cc(C)ccc3n(C)c2c1
InChIInChI=1S/C15H12N2/c1-10-4-7-14-13(8-10)12-6-5-11(16-2)9-15(12)17(14)3/h4-9H,1,3H3
InChIKeyFMEPDHJYQGRIEY-UHFFFAOYSA-N
MW220.27 g/mol
LogP4.19
Rot. Bonds

About 2-isocyano-6,9-dimethylcarbazole

2-isocyano-6,9-dimethylcarbazole (PubChem CID 158421593) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-isocyano-6,9-dimethylcarbazole.

Molecular Properties

Compound Name2-isocyano-6,9-dimethylcarbazole
PubChem CID158421593
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name2-isocyano-6,9-dimethylcarbazole
SMILES[C-]#[N+]c1ccc2c3cc(C)ccc3n(C)c2c1
InChIInChI=1S/C15H12N2/c1-10-4-7-14-13(8-10)12-6-5-11(16-2)9-15(12)17(14)3/h4-9H,1,3H3
InChIKeyFMEPDHJYQGRIEY-UHFFFAOYSA-N
XLogP4.19
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 54.19
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

2-isocyano-6-methyl-9-phenylcarbazole
CID 140824455
2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole
CID 140686487
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
1,2,5-trimethylindole-3-thiol
CID 142076478
N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 59939722
3,6-bis(deuteriomethyl)-9-methylcarbazole
CID 59270885
3,9-dimethyl-6-phenylcarbazole
CID 59499447
9-iodo-3,6-dimethylcarbazole
CID 129082868
2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium
CID 160772488
5-isocyano-1,3-dimethylindazole
CID 58847572
cobalt;pentakis(1-isocyano-4-methylbenzene)
CID 6396157
2,9-dimethylcarbazole-1-carbonitrile;2,9-dimethylcarbazole-3-carbonitrile;3,9-dimethylcarbazole-1-carbonitrile;7,9-dimethylcarbazole-4-carbonitrile;4-isocyano-1,9-dimethylcarbazole;4-isocyano-2,9-dimethylcarbazole;7-isocyano-1,9-dimethylcarbazole
CID 160634326

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-6,9-dimethylcarbazole?
The IUPAC name of 2-isocyano-6,9-dimethylcarbazole (CID 158421593) is 2-isocyano-6,9-dimethylcarbazole.
What is the SMILES notation for 2-isocyano-6,9-dimethylcarbazole?
The canonical SMILES for 2-isocyano-6,9-dimethylcarbazole is [C-]#[N+]c1ccc2c3cc(C)ccc3n(C)c2c1.
What is the InChIKey of 2-isocyano-6,9-dimethylcarbazole?
The InChIKey is FMEPDHJYQGRIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-10-4-7-14-13(8-10)12-6-5-11(16-2)9-15(12)17(14)3/h4-9H,1,3H3.
What are the key properties of 2-isocyano-6,9-dimethylcarbazole?
2-isocyano-6,9-dimethylcarbazole has a molecular weight of 220.27 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-6,9-dimethylcarbazole is sourced from PubChem (CID 158421593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).