2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole

C26H18N2 — CID 140686487

IUPAC2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole
SMILES[C-]#[N+]c1ccc2c3cc(-c4cccc(-c5ccccc5)c4)ccc3n(C)c2c1
InChIInChI=1S/C26H18N2/c1-27-22-12-13-23-24-16-21(11-14-25(24)28(2)26(23)17-22)20-10-6-9-19(15-20)18-7-4-3-5-8-18/h3-17H,2H3
InChIKeyAZAHAERZLYENBB-UHFFFAOYSA-N
MW358.44 g/mol
LogP7.22
Rot. Bonds2

About 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole

2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole (PubChem CID 140686487) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole
PubChem CID140686487
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole
SMILES[C-]#[N+]c1ccc2c3cc(-c4cccc(-c5ccccc5)c4)ccc3n(C)c2c1
InChIInChI=1S/C26H18N2/c1-27-22-12-13-23-24-16-21(11-14-25(24)28(2)26(23)17-22)20-10-6-9-19(15-20)18-7-4-3-5-8-18/h3-17H,2H3
InChIKeyAZAHAERZLYENBB-UHFFFAOYSA-N
XLogP7.22
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 57.22
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

9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
2-isocyano-6,9-dimethylcarbazole
CID 158421593
3,9-dimethyl-6-phenylcarbazole
CID 59499447
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 158517648
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 126517762
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane
CID 159476950
9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene
CID 157291813

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole?
The IUPAC name of 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole (CID 140686487) is 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole is [C-]#[N+]c1ccc2c3cc(-c4cccc(-c5ccccc5)c4)ccc3n(C)c2c1.
What is the InChIKey of 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole?
The InChIKey is AZAHAERZLYENBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-27-22-12-13-23-24-16-21(11-14-25(24)28(2)26(23)17-22)20-10-6-9-19(15-20)18-7-4-3-5-8-18/h3-17H,2H3.
What are the key properties of 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole?
2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole has a molecular weight of 358.44 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole is sourced from PubChem (CID 140686487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).