2-isocyano-6-methyl-9-phenylcarbazole

C20H14N2 — CID 140824455

IUPAC2-isocyano-6-methyl-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc2c3cc(C)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C20H14N2/c1-14-8-11-19-18(12-14)17-10-9-15(21-2)13-20(17)22(19)16-6-4-3-5-7-16/h3-13H,1H3
InChIKeyXEFYGXLMPCZSQK-UHFFFAOYSA-N
MW282.35 g/mol
LogP5.64
Rot. Bonds1

About 2-isocyano-6-methyl-9-phenylcarbazole

2-isocyano-6-methyl-9-phenylcarbazole (PubChem CID 140824455) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-isocyano-6-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name2-isocyano-6-methyl-9-phenylcarbazole
PubChem CID140824455
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name2-isocyano-6-methyl-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc2c3cc(C)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C20H14N2/c1-14-8-11-19-18(12-14)17-10-9-15(21-2)13-20(17)22(19)16-6-4-3-5-7-16/h3-13H,1H3
InChIKeyXEFYGXLMPCZSQK-UHFFFAOYSA-N
XLogP5.64
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.35
LogP ≤ 55.64
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-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
2-methyl-9-phenylcarbazole
CID 59552741
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3-(2,6-dimethyl-10-pyridin-4-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole
CID 123301938
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
6-methyl-9-phenylcarbazole-3-thiol
CID 143213291
2-isocyano-6,9-dimethylcarbazole
CID 158421593
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123239087
2-[9-(2-carbazol-9-yl-4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455093

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-6-methyl-9-phenylcarbazole?
The IUPAC name of 2-isocyano-6-methyl-9-phenylcarbazole (CID 140824455) is 2-isocyano-6-methyl-9-phenylcarbazole.
What is the SMILES notation for 2-isocyano-6-methyl-9-phenylcarbazole?
The canonical SMILES for 2-isocyano-6-methyl-9-phenylcarbazole is [C-]#[N+]c1ccc2c3cc(C)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-isocyano-6-methyl-9-phenylcarbazole?
The InChIKey is XEFYGXLMPCZSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-14-8-11-19-18(12-14)17-10-9-15(21-2)13-20(17)22(19)16-6-4-3-5-7-16/h3-13H,1H3.
What are the key properties of 2-isocyano-6-methyl-9-phenylcarbazole?
2-isocyano-6-methyl-9-phenylcarbazole has a molecular weight of 282.35 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-6-methyl-9-phenylcarbazole is sourced from PubChem (CID 140824455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).