3-tert-butyl-9-nitrosocarbazole

C16H16N2O — CID 155435289

IUPAC3-tert-butyl-9-nitrosocarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2N=O
InChIInChI=1S/C16H16N2O/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)18(15)17-19/h4-10H,1-3H3
InChIKeyMWIQKFADWPUSTM-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.62
Rot. Bonds1

About 3-tert-butyl-9-nitrosocarbazole

3-tert-butyl-9-nitrosocarbazole (PubChem CID 155435289) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-tert-butyl-9-nitrosocarbazole.

Molecular Properties

Compound Name3-tert-butyl-9-nitrosocarbazole
PubChem CID155435289
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-tert-butyl-9-nitrosocarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2N=O
InChIInChI=1S/C16H16N2O/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)18(15)17-19/h4-10H,1-3H3
InChIKeyMWIQKFADWPUSTM-UHFFFAOYSA-N
XLogP4.62
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Analyze 3-tert-butyl-9-nitrosocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,10-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 102489233
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole
CID 118033417
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
9-(2,5-ditert-butylphenyl)carbazole
CID 143599034
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
2,6,9-tritert-butylcarbazole
CID 177113514
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
3,6-ditert-butyl-9-[4-[4-(4-carbazol-9-ylphenyl)-2,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]carbazole
CID 146556924

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-nitrosocarbazole?
The IUPAC name of 3-tert-butyl-9-nitrosocarbazole (CID 155435289) is 3-tert-butyl-9-nitrosocarbazole.
What is the SMILES notation for 3-tert-butyl-9-nitrosocarbazole?
The canonical SMILES for 3-tert-butyl-9-nitrosocarbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2N=O.
What is the InChIKey of 3-tert-butyl-9-nitrosocarbazole?
The InChIKey is MWIQKFADWPUSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)18(15)17-19/h4-10H,1-3H3.
What are the key properties of 3-tert-butyl-9-nitrosocarbazole?
3-tert-butyl-9-nitrosocarbazole has a molecular weight of 252.32 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-nitrosocarbazole is sourced from PubChem (CID 155435289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).